Basic information
- CAS
22847-86-5- Standard SMILES
CC12CCC3C(CCC4Cc5[nH]c6ccccc6c5CC43C)C1CCC2O- InChIKey
XAPHYNIJAGNNNA-UHFFFAOYSA-N- Molecular formula
- C25H33NO
- Average molar mass
- 363.5 g/mol
- Monoisotopic mass
- 363.25621468
Names & identifiers
- Preferred name
- 12a,14a-Dimethyl-1,2,3,3a,3b,4,5,5a,6,7,12,12a,12b,13,14,14a-hexadecahydrocyclopenta[5,6]naphtho[2,1-b]carbazol-1-ol
- IUPAC
- 1,5-dimethyl-16-azahexacyclo[11.11.0.02,10.05,9.015,23.017,22]tetracosa-15(23),17,19,21-tetraen-6-ol
Names & synonyms
MLS000736682NSC6078522847-86-5NCIOpen2_00774212a,14a-dimethyl-1,2,3,3a,3b,4,5,5a,6,7,12,12a,12b,13,14,14a-hexadecahydrocyclopenta[5,6]naphtho[2,1-b]carbazol-1-olCHEMBL4296828SCHEMBL18310344DTXSID30287761NSC52422NSC-52422NSC-60785SMR000528288
Database identifiers
- CAS
22847-86-5- PubChem CID
- 243149
- DTXSID
DTXSID30287761- ChEMBL
CHEMBL4296828
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 36 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 605
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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