Basic information
- CAS
3483-01-0- Standard SMILES
CO[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]2(C)O)C1- InChIKey
INYNLZJYFAWXJN-JRRMKBMNSA-N- Molecular formula
- C21H36O2
- Average molar mass
- 320.5 g/mol
- Monoisotopic mass
- 320.27153039
Names & identifiers
- Preferred name
- 3alpha-Methoxy-17-methyl-5alpha-androstan-17beta-ol
- IUPAC
- (3R,5S,8R,9S,10S,13S,14S,17S)-3-methoxy-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ol
Names & synonyms
NSC-89848ZMB859QQRP3483-01-03alpha-Methoxy-17-methyl-5alpha-androstan-17beta-olUNII-ZMB859QQRPNSC898485alpha-Androstan-17beta-ol, 3alpha-methoxy-17-methyl-Androstan-17-ol, 3-methoxy-17-methyl-, (3alpha,5alpha,17beta)-Androstan-17-ol, 3-methoxy-17-methyl-, (3.alpha.,5.alpha.,17.beta.)-Androstan-17-ol, (3.alpha.,5.alpha.,17.beta.)-Q27295735(3alpha,5alpha,17beta)-3-methoxy-17-methylandrostan-17-ol
Show more names
3.ALPHA.-METHOXY-17-METHYL-5.ALPHA.-ANDROSTAN-17.BETA.-OL5.ALPHA.-ANDROSTAN-17.BETA.-OL, 3.ALPHA.-METHOXY-17-METHYL-
Database identifiers
- CAS
3483-01-0- PubChem CID
- 259697
- UNII
- ZMB859QQRP
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 476
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…