methyl 4-(7-acetyloxy-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
Basic information
- CAS
7432-44-2- Standard SMILES
COC(=O)CCC(C)C1CCC2C3C(OC(C)=O)CC4CC(O)CCC4(C)C3CC(O)C12C- InChIKey
MQMDKPZWEWBJGP-UHFFFAOYSA-N- Molecular formula
- C27H44O6
- Average molar mass
- 464.6 g/mol
- Monoisotopic mass
- 464.31378912
Names & identifiers
- Preferred name
- methyl 4-(7-acetyloxy-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
- IUPAC
- methyl 4-(7-acetyloxy-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
Names & synonyms
MLS003107194methyl 4-(7-acetyloxy-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate7432-44-2NSC204979DTXSID80995844AKOS024429339NSC-204979SMR001822070ST51253657Methyl 7-(acetyloxy)-3,12-dihydroxycholan-24-oate
Database identifiers
- CAS
7432-44-2- PubChem CID
- 307182
- DTXSID
DTXSID80995844- EC Number
- 231-078-6
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 753
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Compound notes
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