Campestanol
PubChem CID
119394
Structure
Molecular Formula
Synonyms
- Campestanol
- 474-60-2
- 5alpha-campestan-3beta-ol
- Ergostan-3-ol, (3.beta.,5.alpha.,24R)-
- Plant Sterols/Stanols
Molecular Weight
402.7 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-08-08
- Modify:2025-01-11
Description
Campestanol is a 3beta-sterol and a C28-steroid. It derives from a hydride of a 5alpha-campestane.
Campestanol has been reported in Clerodendrum chinense, Zea mays, and other organisms with data available.
See also: Ergostanol (annotation moved to).
Chemical Structure Depiction
(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C28H50O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-26,29H,7-17H2,1-6H3/t19-,20-,21+,22+,23+,24-,25+,26+,27+,28-/m1/s1
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
ARYTXMNEANMLMU-ATEDBJNTSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C[C@H](CC[C@@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C28H50O
Computed by PubChem 2.2 (PubChem release 2021.10.14)
campestanol
- Campestanol
- 474-60-2
- 5alpha-campestan-3beta-ol
- Ergostan-3-ol, (3.beta.,5.alpha.,24R)-
- Plant Sterols/Stanols
- 24beta-Ethylcholestanol
- 5alpha-Dihydrocampesterol
- 24beta-Methyl cholestanol
- Dihydrocampesterin
- 5alpha-Campestanol
- UNII-5J08LF99N1
- 5J08LF99N1
- (3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
- Ergostan-3-ol, (3beta,5alpha,24R)-
- DTXSID3040988
- CHEBI:36799
- NEOSPONGOSTEROL, DIHYDRO-
- 24.BETA.-METHYLCHOLESTANOL
- 5.ALPHA.-DIHYDROCAMPESTEROL
- 24alpha-Methyl-5alpha-cholestan-3beta-ol
- Chalinastanol
- 5.ALPHA.-ERGOSTAN-3.BETA.-OL, (24R)-
- 5alpha-Ergostan-3beta-ol
- 5.alpha.-Ergostan-3.beta.-ol
- 5alpga-Ergostan-3-beta-ol
- (24R)-5alpha-ergostan-3beta-ol
- (3.beta.,5.alpha.)-Ergostan-3-ol
- Ergostan-3-ol, (3.beta.,5.alpha.)-
- (3S,5S,8R,9S,10S,13R,14S,17R)-17-((2R,5R)-5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta(a)phenanthren-3-ol
- 24S-Methyl-5-.alpha.-cholestan-3-.beta.-ol
- 5 alpha (H)-Campestanol
- 5alpha-Ergostan-3-beta-ol
- SCHEMBL167154
- 24BETA-METHYLCHOLESTANOL
- DTXCID301436322
- LMST01030103
- AKOS040744794
- DA-62021
- 1ST000521
- HY-113288
- 5ALPHA-ERGOSTAN-3BETA-OL, (24R)-
- CS-0059519
- NS00077009
- 24 alpha-methyl-5 alpha-cholestan-3 beta-ol
- Q15410858
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
402.7 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
9.6
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
5
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
402.386166214 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
402.386166214 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
20.2 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
29
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
569
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
10
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Standard non-polar
3210
Potential endocrine disrupting compound
S109 | PARCEDC | List of 7074 potential endocrine disrupting compounds (EDCs) by PARC T4.2 | DOI:10.5281/zenodo.10944198
Lipids -> Sterol Lipids [ST] -> Sterols [ST01] -> Ergosterols and C24-methyl derivatives [ST0103]
NIST Number
79740
Library
Main library
Total Peaks
131
m/z Top Peak
215
m/z 2nd Highest
233
m/z 3rd Highest
234
Thumbnail
Instrument Name
Shimadzu GC/MS QP-2010 SE
Source of Spectrum
CBD-20-SM32-13 (DOI: 10.1002/cbdv.202300536)
Copyright
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Stereo Count
Same Isotope Count
Same Parent, Connectivity Count
Same Parent, Stereo Count
Same Parent, Isotope Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Ergostanol (annotation moved to)
PubMed Count
New Zealand EPA Inventory of Chemical Status
Ergostan-3-ol, (3.beta.,5.alpha.,24R)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=ARYTXMNEANMLMU-ATEDBJNTSA-N
The LOTUS Initiative for Open Natural Products Research: frozen dataset union wikidata (with metadata) | DOI:10.5281/zenodo.5794106
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/
- ChemIDplusChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSToxCompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linking
- New Zealand Environmental Protection Authority (EPA)LICENSEThis work is licensed under the Creative Commons Attribution-ShareAlike 4.0 International licence.https://www.epa.govt.nz/about-this-site/general-copyright-statement/Ergostan-3-ol, (3.beta.,5.alpha.,24R)-https://www.epa.govt.nz/industry-areas/hazardous-substances/guidance-for-importers-and-manufacturers/hazardous-substances-databases/
- ChEBI
- LOTUS - the natural products occurrence databaseLICENSEThe code for LOTUS is released under the GNU General Public License v3.0.https://lotus.nprod.net/Campestanolhttps://www.wikidata.org/wiki/Q15410858LOTUS Treehttps://lotus.naturalproducts.net/
- Japan Chemical Substance Dictionary (Nikkaji)
- KEGGLICENSEAcademic users may freely use the KEGG website. Non-academic use of KEGG generally requires a commercial licensehttps://www.kegg.jp/kegg/legal.html
- LIPID MAPSLipid Classificationhttps://www.lipidmaps.org/
- Natural Product Activity and Species Source (NPASS)
- Metabolomics Workbench
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-lawErgostanolhttp://www.nist.gov/srd/nist1a.cfm
- SpectraBase(3.beta.,5.alpha.,20R,24R)-ergostan-3-olhttps://spectrabase.com/spectrum/IC2Ep06ZuA4(24R)-24-METHYL-5-ALPHA-CHOLESTAN-3-BETA-OLhttps://spectrabase.com/spectrum/8vliYb9tQuX
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/NORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- Rhea - Annotated Reactions DatabaseLICENSERhea has chosen to apply the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0/). This means that you are free to copy, distribute, display and make commercial use of the database in all legislations, provided you credit (cite) Rhea.https://www.rhea-db.org/help/license-disclaimer
- Springer Nature
- Wikidatacampestanolhttps://www.wikidata.org/wiki/Q15410858
- WikipediaTortuosaminehttps://en.wikipedia.org/wiki/TortuosamineCampestanolhttps://en.wikipedia.org/wiki/Campestanol
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.htmlcampestanolhttps://www.ncbi.nlm.nih.gov/mesh/67003535
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 403597725https://pubchem.ncbi.nlm.nih.gov/substance/403597725
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