(24S,25S)-24,25-Epoxy-26-hydroxylanosta-7,9(11)-dien-3-one
Basic information
- CAS
114020-57-4- Standard SMILES
C[C@H](CC[C@@H]1O[C@@]1(C)CO)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C- InChIKey
XOBQAKLXNUVCPN-ZUBRTFANSA-N- Molecular formula
- C30H46O3
- Average molar mass
- 454.7 g/mol
- Monoisotopic mass
- 454.34469533
Names & identifiers
- Preferred name
- (24S,25S)-24,25-Epoxy-26-hydroxylanosta-7,9(11)-dien-3-one
- IUPAC
- (5R,10S,13R,14R,17R)-17-[(2R)-4-[(2S,3S)-3-(hydroxymethyl)-3-methyloxiran-2-yl]butan-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
Names & synonyms
DTXSID501193611(24S,25S)-24,25-Epoxy-26-hydroxylanosta-7,9(11)-dien-3-one114020-57-4(24S,25S)-26-Hydroxy-24,25-epoxylanosta-7,9(11)-dien-3-one
Database identifiers
- CAS
114020-57-4- PubChem CID
- 14015437
- DTXSID
DTXSID501193611
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 914
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Compound notes
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