(5s,8r,9r,10s,13s,14s,17r)-13-Methyltetradecahydro-3'h-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2h,4'h)-dione
Basic information
- CAS
7250-26-2- Standard SMILES
C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@H]43)[C@@H]1CC[C@@]21CCC(=O)O1- InChIKey
JSXFOYUNEYPEME-BRLQAUDHSA-N- Molecular formula
- C21H30O3
- Average molar mass
- 330.5 g/mol
- Monoisotopic mass
- 330.21949481
Overview
17-Hydroxy-3-oxo-19-nor-5alpha,17alpha-pregnane-21-carboxylic acid, gamma-lactone is a steroid lactone.
Names & identifiers
- Preferred name
- (5s,8r,9r,10s,13s,14s,17r)-13-Methyltetradecahydro-3'h-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2h,4'h)-dione
- IUPAC
- (5S,8R,9R,10S,13S,14S,17R)-13-methylspiro[1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
Names & synonyms
(5s,8r,9r,10s,13s,14s,17r)-13-methyltetradecahydro-3'h-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2h,4'h)-dione7250-26-217-Hydroxy-3-oxo-19-nor-5alpha,17alpha-pregnane-21-carboxylic acid, gamma-lactone(5S,8R,9R,10S,13S,14S,17R)-13-methylspiro[1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dioneCHEBI:79408DTXSID00289515NSC61714NSC70589NSC-61714NSC-70589Q27148445(1R,3aS,3bR,5aS,9aS,9bR,11aS)-11a-Methyltetradecahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxolane]-5',7(3bH)-dione
Database identifiers
- CAS
7250-26-2- PubChem CID
- 247307
- DTXSID
DTXSID00289515- ChEBI
CHEBI:79408- Nikkaji
- J2.789.721E
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 584
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Compound notes
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