5a,7a,8-Trimethyl-5,5a,5b,6,7,7a,8,9,10,10a,10b,11,12,12a-tetradecahydro-1h-indeno[5,4-f]pyrazolo[1,5-a]quinolin-8-ol
Basic information
- CAS
22957-48-8- Standard SMILES
CC12CC=C3C=CNN3C1CCC1C2CCC2(C)C1CCC2(C)O- InChIKey
QBCSWYQAQBHPRM-UHFFFAOYSA-N- Molecular formula
- C21H32N2O
- Average molar mass
- 328.5 g/mol
- Monoisotopic mass
- 328.25146365
Names & identifiers
- Preferred name
- 5a,7a,8-Trimethyl-5,5a,5b,6,7,7a,8,9,10,10a,10b,11,12,12a-tetradecahydro-1h-indeno[5,4-f]pyrazolo[1,5-a]quinolin-8-ol
- IUPAC
- 2,17,18-trimethyl-8,9-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-4,6-dien-17-ol
Names & synonyms
5a,7a,8-trimethyl-5,5a,5b,6,7,7a,8,9,10,10a,10b,11,12,12a-tetradecahydro-1h-indeno[5,4-f]pyrazolo[1,5-a]quinolin-8-olDTXSID30945652QBCSWYQAQBHPRM-UHFFFAOYSA-NNS00048167
Database identifiers
- CAS
22957-48-8- PubChem CID
- 90852
- DTXSID
DTXSID30945652
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 627
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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