19-Norpregnane-3,20-dione, (5alpha)-
Basic information
- CAS
10594-57-7- Standard SMILES
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@@H]4[C@H]3CC[C@]12C- InChIKey
DOIUYMHEABAPBH-VDMKTYGSSA-N- Molecular formula
- C20H30O2
- Average molar mass
- 302.5 g/mol
- Monoisotopic mass
- 302.2245802
Overview
19-Nor-5alpha-pregnane-3,20-dione is a corticosteroid hormone.
Names & identifiers
- Preferred name
- 19-Norpregnane-3,20-dione, (5alpha)-
- IUPAC
- (5S,8R,9R,10S,13S,14S,17S)-17-acetyl-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-one
Names & synonyms
19-Norpregnane-3,20-dione, (5alpha)-10594-57-7UNII-907SXS058A907SXS058ANSC 81406NSC-8140619-Nor-5alpha-pregnane-3,20-dioneDTXSID1014743519-NOR-5.ALPHA.-PREGNANE-3,20-DIONE19-NORPREGNANE-3,20-DIONE, (5.ALPHA.)-RefChem:79535DTXCID9069926
Show more names
(5S,8R,9R,10S,13S,14S,17S)-17-acetyl-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-oneSCHEMBL11677270CHEBI:79705NSC814065alpha-19-Norpregnane-3,20-dione(5alpha)-19-norpregnane-3,20-dioneQ27148834
Database identifiers
- CAS
10594-57-7- PubChem CID
- 255703
- DTXSID
DTXSID10147435- ChEBI
CHEBI:79705- UNII
- 907SXS058A
- Nikkaji
- J2.790.332K
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 496
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Related reactions
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Compound notes
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