5-Dihydroaldosterone
PubChem CID
3036614
Structure
Molecular Formula
Synonyms
- 5-Dihydroaldosterone
- 6005-92-1
- Pregnane-3,20-dione, 11,18-epoxy-18,21-dihydroxy-, (5beta,11beta)-
- (2S,5S,6S,9R,14S,15S,16R)-18-hydroxy-2-(2-hydroxyacetyl)-14-methyl-17-oxapentacyclo[14.2.1.01,5.06,15.09,14]nonadecan-11-one
- 5 beta-dihydroaldosterone
Molecular Weight
362.5 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-08-08
- Modify:2025-01-11
Chemical Structure Depiction
(2S,5S,6S,9R,14S,15S,16R)-18-hydroxy-2-(2-hydroxyacetyl)-14-methyl-17-oxapentacyclo[14.2.1.01,5.06,15.09,14]nonadecan-11-one
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C21H30O5/c1-20-7-6-12(23)8-11(20)2-3-13-14-4-5-15(16(24)10-22)21(14)9-17(18(13)20)26-19(21)25/h11,13-15,17-19,22,25H,2-10H2,1H3/t11-,13+,14+,15-,17-,18-,19?,20+,21?/m1/s1
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
WCYSTKTYJRHHAV-RXKCSFKASA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2[C@H]4CC5([C@H]3CC[C@@H]5C(=O)CO)C(O4)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C21H30O5
Computed by PubChem 2.2 (PubChem release 2021.10.14)
6005-92-1
- 5 alpha-dihydroaldosterone
- 5 beta-dihydroaldosterone
- 5-dihydroaldosterone
- 5-dihydroaldosterone, (5alpha,11beta)-isomer
- 5-Dihydroaldosterone
- 6005-92-1
- Pregnane-3,20-dione, 11,18-epoxy-18,21-dihydroxy-, (5beta,11beta)-
- (2S,5S,6S,9R,14S,15S,16R)-18-hydroxy-2-(2-hydroxyacetyl)-14-methyl-17-oxapentacyclo[14.2.1.01,5.06,15.09,14]nonadecan-11-one
- 5 beta-dihydroaldosterone
- 5 alpha-dihydroaldosterone
- DTXSID00975481
- 18,21-Dihydroxy-11,18-epoxypregnane-3,20-dione
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
362.5 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
1.7
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
362.20932405 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
362.20932405 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
83.8 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
26
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
646
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
7
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
2
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)
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Same Connectivity Count
Same Parent, Connectivity Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
- ChemIDplus5-Dihydroaldosteronehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0006005921ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSTox18,21-Dihydroxy-11,18-epoxypregnane-3,20-dionehttps://comptox.epa.gov/dashboard/DTXSID00975481CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- Wikidata18,21-Dihydroxy-11,18-epoxypregnane-3,20-dionehttps://www.wikidata.org/wiki/Q82960076
- 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.html5-dihydroaldosteronehttps://www.ncbi.nlm.nih.gov/mesh/67018920
CONTENTS