(2'S,6R,7R,8R,9S,10R,13S,14S,15S,16S)-3',4',6,7,8,9,11,12,13,14,15,16,20,21-Tetradecahydro-10,13-dimethylspiro(17H-dicyclopropa(6,7:15,16)cyclopenta(a)phenanthrene-17,2'(5'H)-furan)-3,5'(10H)-dione
Basic information
- CAS
74220-07-8- Standard SMILES
C[C@]12C=CC(=O)C=C1[C@@H]1C[C@@H]1[C@H]1[C@@H]3[C@@H]4C[C@@H]4[C@@]4(CCC(=O)O4)[C@@]3(C)CC[C@@H]12- InChIKey
NZUIUYWHFPQZBH-HXCATZOESA-N- Molecular formula
- C24H28O3
- Average molar mass
- 364.5 g/mol
- Monoisotopic mass
- 364.20384475
Overview
structure given in first source
Names & identifiers
- Preferred name
- (2'S,6R,7R,8R,9S,10R,13S,14S,15S,16S)-3',4',6,7,8,9,11,12,13,14,15,16,20,21-Tetradecahydro-10,13-dimethylspiro(17H-dicyclopropa(6,7:15,16)cyclopenta(a)phenanthrene-17,2'(5'H)-furan)-3,5'(10H)-dione
- IUPAC
- (1R,2R,4R,10R,11S,14S,15S,16S,18S,19S)-10,14-dimethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadeca-5,8-diene-15,5'-oxolane]-2',7-dione
- English name
- spirorenone
- Molecular formula
- C24H28O3
- Molecular weight
- 364.48
Names & synonyms
Spirorenone74220-07-8EspirorenonaSpirorenonumB8TEV07170DTXSID501024537Spiro(17H-dicyclopropa(6,7:15,16)cyclopenta(a)phenanthrene-17,2'(5'H)-furan)-3,5'(10H)-dione, 3',4',6,7,8,9,11,12,13,14,15,16,20,21-tetradecahydro-10,13-dimethyl-, (6R-(6alpha,7alpha,8beta,9alpha,10beta,13beta,14alpha,15alpha,16alpha,17beta))-RefChem:905741DTXCID501508751(2'S,6R,7R,8R,9S,10R,13S,14S,15S,16S)-3',4',6,7,8,9,11,12,13,14,15,16,20,21-Tetradecahydro-10,13-dimethylspiro(17H-dicyclopropa(6,7:15,16)cyclopenta(a)phenanthrene-17,2'(5'H)-furan)-3,5'(10H)-dione277-770-16 beta, 7 beta, 15 beta, 16 beta-dimethylene-1,4-androstadiene-(17(beta-1')-spiro-5')-perhydrofuran-2',3-dione
Show more names
Spiro[17H-dicyclopropa[6,7:15,16]cyclopenta[a]phenanthrene-17,2'(5'H)-furan]-3,5'(10H)-dione, 3',4',6,7,8,9,11,12,13,14,15,16,20,21-tetradecahydro-10,13-dimethyl-, (2'S,6R,7R,8R,9S,10R,13S,14S,15S,16S)-
Spirorenone [INN](1R,2R,4R,10R,11S,14S,15S,16S,18S,19S)-10,14-dimethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadeca-5,8-diene-15,5'-oxolane]-2',7-dione(6R,7R,8R,9S,10R,13S,14R,15S,16S,17S)-3',4',6,7,8,9,11,12,13,14,15,16,20,21-Tetradecahydro-10,13-dimethylspiro(17H-dicyclopropa(6,7:15,16)cyclopenta(a)phenanthrene-17,2'(5'H)-furan)-3(10H),5'-dioneSpirorenonum [INN-Latin]Espirorenona [INN-Spanish]UNII-B8TEV07170EINECS 277-770-1Delta-1-MSp
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 869
Physicochemical properties
- FDA UNII
- 8 TEV07170 · B8TEV07170
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Related reactions
2 records
Compound notes
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