1-[5-Acetyl-2-(acetyloxy)-4a,6a-dimethyl-2,3,4,4a,5,6,6a,7,8,9,9a,10,11,11a-tetradecahydro-1h-benzo[h]cyclopenta[c]quinolin-7-yl]ethyl acetate
Basic information
- CAS
41005-36-1- Standard SMILES
CC(=O)OC1CCC2(C)C3=C(CCC2C1)C1CCC(C(C)OC(C)=O)C1(C)CN3C(C)=O- InChIKey
XJJRBEWXWVXDCR-UHFFFAOYSA-N- Molecular formula
- C26H39NO5
- Average molar mass
- 445.6 g/mol
- Monoisotopic mass
- 445.28282334
Names & identifiers
- Preferred name
- 1-[5-Acetyl-2-(acetyloxy)-4a,6a-dimethyl-2,3,4,4a,5,6,6a,7,8,9,9a,10,11,11a-tetradecahydro-1h-benzo[h]cyclopenta[c]quinolin-7-yl]ethyl acetate
- IUPAC
- [17-acetyl-14-(1-acetyloxyethyl)-2,15-dimethyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadec-1(10)-en-5-yl] acetate
Names & synonyms
41005-36-11-[5-acetyl-2-(acetyloxy)-4a,6a-dimethyl-2,3,4,4a,5,6,6a,7,8,9,9a,10,11,11a-tetradecahydro-1h-benzo[h]cyclopenta[c]quinolin-7-yl]ethyl acetateNSC110340DTXSID00296603NSC-110340
Database identifiers
- CAS
41005-36-1- PubChem CID
- 269374
- DTXSID
DTXSID00296603
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 849
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Compound notes
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