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Basic information
- CAS
58212-84-3- Standard SMILES
CC(=O)[C@@]12CCCC[C@@H]1C[C@H]1[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C- InChIKey
OAICPORQJIVREU-SGCXAXHESA-N- Molecular formula
- C26H38O2
- Average molar mass
- 382.588 g/mol
- Monoisotopic mass
- 382.28718046
Names & identifiers
- Preferred name
- Mecigestone
- IUPAC
- (4aR,4bS,6aS,6bS,10aR,11aS,11bR,13S)-6b-Acetyl-4a,6a,13-trimethyl-3,4,4a,4b,5,6,6a,6b,7,8,9,10,10a,11,11a,11b,12,13-octadecahydro-2H-indeno[2,1-a]phenanthren-2-one
- English name
- pentarane B
- Molecular formula
- C26H38O2
- Molecular weight
- 382.58
Names & synonyms
pentarane B16,24-Cyclo-21-norchol-4-en-3-one, 17-acetyl-6-methyl-, (6α,16β,17α)-
Database identifiers
- CAS
58212-84-3- PubChem CID
- 124372
- DTXSID
DTXSID30973778- UNII
- N3UWJ2K7NF
- Nikkaji
- J418.717B
Properties
Physicochemical properties
- Boiling point
- 502.7 · 502.7±50.0 °C(Predicted)
- Density
- 1.08 · 1.08±0.1 g/cm3(Predicted)
- FDA UNII
- 3 UWJ2K7NF · N3UWJ2K7NF
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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