Basic information
- CAS
20227-36-5- Standard SMILES
CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)C=C(O)C(=O)C(C)(C)[C@@H]1CC3- InChIKey
UTKPULHOQVNYNK-VTJKLPHDSA-N- Molecular formula
- C30H46O2
- Average molar mass
- 438.7 g/mol
- Monoisotopic mass
- 438.34978071
Names & identifiers
- Preferred name
- Lanostatrien-3-one-2-hydroxy-
- IUPAC
- (5R,10R,13R,14R,17R)-2-hydroxy-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-5,6,7,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
Names & synonyms
NSC67783LANOSTATRIEN-3-ONE-2-HYDROXY-20227-36-52-Hydroxy-lanostatrien-3-oneNSC-67783
Database identifiers
- CAS
20227-36-5- PubChem CID
- 249446
Properties
Computed structural properties
- XLogP
- 8.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 898
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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