Favolon B
PubChem CID
11365178
Structure
Molecular Formula
Synonyms
- Favolon B
- [(1R,2S,5S,10R,11S,14R,15R,17R)-14-[(2S,4S,5R)-4-Hydroxy-5,6-dimethyl-3-oxoheptan-2-yl]-2,15-dimethyl-9-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-7-en-5-yl] 2,3-dihydroxy-3-methylbutanoate
- ((1R,2S,5S,10R,11S,14R,15R,17R)-14-((2S,4S,5R)-4-hydroxy-5,6-dimethyl-3-oxoheptan-2-yl)-2,15-dimethyl-9-oxo-18-oxapentacyclo(8.8.0.01,17.02,7.011,15)octadec-7-en-5-yl) 2,3-dihydroxy-3-methylbutanoate
- (1R,2S,5S,10R,11S,14R,15R,17R)-14-((2S,4S,5R)-4-Hydroxy-5,6-dimethyl-3-oxoheptan-2-yl)-2,15-dimethyl-9-oxo-18-oxapentacyclo(8.8.0.0,.0,.0,)octadec-7-en-5-yl 2,3-dihydroxy-3-methylbutanoic acid
- (1R,2S,5S,10R,11S,14R,15R,17R)-14-[(2S,4S,5R)-4-Hydroxy-5,6-dimethyl-3-oxoheptan-2-yl]-2,15-dimethyl-9-oxo-18-oxapentacyclo[8.8.0.0,.0,.0,]octadec-7-en-5-yl 2,3-dihydroxy-3-methylbutanoic acid
Molecular Weight
574.7 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2006-10-26
- Modify:2024-12-14
Description
Favolon B is a steroid ester.
Favolon B has been reported in Mycena with data available.
Chemical Structure Depiction
[(1R,2S,5S,10R,11S,14R,15R,17R)-14-[(2S,4S,5R)-4-hydroxy-5,6-dimethyl-3-oxoheptan-2-yl]-2,15-dimethyl-9-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-7-en-5-yl] 2,3-dihydroxy-3-methylbutanoate
Computed by Lexichem TK 2.7.0 (PubChem release 2021.05.07)
InChI=1S/C33H50O8/c1-16(2)17(3)26(35)27(36)18(4)21-9-10-22-25-23(34)14-19-13-20(40-29(38)28(37)30(5,6)39)11-12-32(19,8)33(25)24(41-33)15-31(21,22)7/h14,16-18,20-22,24-26,28,35,37,39H,9-13,15H2,1-8H3/t17-,18+,20+,21-,22+,24-,25+,26+,28?,31-,32+,33-/m1/s1
Computed by InChI 1.0.6 (PubChem release 2021.05.07)
FPOCDZWCJIBSDQ-NBUVBTJNSA-N
Computed by InChI 1.0.6 (PubChem release 2021.05.07)
C[C@@H]([C@H]1CC[C@@H]2[C@@]1(C[C@@H]3[C@]4([C@@H]2C(=O)C=C5[C@@]4(CC[C@@H](C5)OC(=O)C(C(C)(C)O)O)C)O3)C)C(=O)[C@H]([C@H](C)C(C)C)O
Computed by OEChem 2.3.0 (PubChem release 2021.05.07)
C33H50O8
Computed by PubChem 2.1 (PubChem release 2021.05.07)
favolon B
- Favolon B
- [(1R,2S,5S,10R,11S,14R,15R,17R)-14-[(2S,4S,5R)-4-Hydroxy-5,6-dimethyl-3-oxoheptan-2-yl]-2,15-dimethyl-9-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-7-en-5-yl] 2,3-dihydroxy-3-methylbutanoate
- ((1R,2S,5S,10R,11S,14R,15R,17R)-14-((2S,4S,5R)-4-hydroxy-5,6-dimethyl-3-oxoheptan-2-yl)-2,15-dimethyl-9-oxo-18-oxapentacyclo(8.8.0.01,17.02,7.011,15)octadec-7-en-5-yl) 2,3-dihydroxy-3-methylbutanoate
- (1R,2S,5S,10R,11S,14R,15R,17R)-14-((2S,4S,5R)-4-Hydroxy-5,6-dimethyl-3-oxoheptan-2-yl)-2,15-dimethyl-9-oxo-18-oxapentacyclo(8.8.0.0,.0,.0,)octadec-7-en-5-yl 2,3-dihydroxy-3-methylbutanoic acid
- (1R,2S,5S,10R,11S,14R,15R,17R)-14-[(2S,4S,5R)-4-Hydroxy-5,6-dimethyl-3-oxoheptan-2-yl]-2,15-dimethyl-9-oxo-18-oxapentacyclo[8.8.0.0,.0,.0,]octadec-7-en-5-yl 2,3-dihydroxy-3-methylbutanoic acid
- CHEBI:201106
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
574.7 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
3.9
Reference
Computed by XLogP3 3.0 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Donor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Acceptor Count
Property Value
8
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Rotatable Bond Count
Property Value
9
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Exact Mass
Property Value
574.35056855 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
574.35056855 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
134Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Heavy Atom Count
Property Value
41
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
1140
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
11
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
1
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 2019.01.04)
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Same Connectivity Count
Same Parent, Connectivity Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
The LOTUS Initiative for Open Natural Products Research: frozen dataset union wikidata (with metadata) | DOI:10.5281/zenodo.5794106
- ChEBI
- LOTUS - the natural products occurrence databaseLICENSEThe code for LOTUS is released under the GNU General Public License v3.0.https://lotus.nprod.net/LOTUS Treehttps://lotus.naturalproducts.net/
- Metabolomics Workbench
- Wikidata
- 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.html
- The Natural Products AtlasLICENSEThe Natural Products Atlas is licensed under a Creative Commons Attribution 4.0 International License.https://www.npatlas.org/termsThe Natural Products Atlas Classificationhttps://www.npatlas.org/
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
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