(8r,9s,10r,13s,14s,17r)-10,13-Dimethyl-7,8,9,10,11,12,13,14,15,16-decahydro-3'h-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(4'h,6h)-dione
Basic information
- CAS
3811-03-8- Standard SMILES
C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21CCC(=O)O1- InChIKey
XFDFDWJXWMKQGW-WNHSNXHDSA-N- Molecular formula
- C22H28O3
- Average molar mass
- 340.5 g/mol
- Monoisotopic mass
- 340.20384475
Overview
17-Hydroxy-3-oxo-17alpha-pregna-1,4-diene-21-carboxylic acid, gamma-lactone is a steroid lactone.
Names & identifiers
- Preferred name
- (8r,9s,10r,13s,14s,17r)-10,13-Dimethyl-7,8,9,10,11,12,13,14,15,16-decahydro-3'h-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(4'h,6h)-dione
- IUPAC
- (8R,9S,10R,13S,14S,17R)-10,13-dimethylspiro[7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
Names & synonyms
(8r,9s,10r,13s,14s,17r)-10,13-dimethyl-7,8,9,10,11,12,13,14,15,16-decahydro-3'h-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(4'h,6h)-dione3811-03-817-Hydroxy-3-oxo-17alpha-pregna-1,4-diene-21-carboxylic acid, gamma-lactoneCHEBI:79609DTXSID90289963NSC65899NSC70590NSC-65899NSC-70590(8R,9S,10R,13S,14S,17R)-10,13-dimethylspiro[7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dioneQ27148731(1R,3aS,3bR,9aR,9bS,11aS)-9a,11a-Dimethyl-2,3,3a,4,5,9a,9b,10,11,11a-decahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxolane]-5',7(3bH)-dione
Database identifiers
- CAS
3811-03-8- PubChem CID
- 248591
- DTXSID
DTXSID90289963- ChEBI
CHEBI:79609- Nikkaji
- J2.792.527H
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 719
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…