4a,6a-Dimethyl-2,3,4,4a,4b,5,6,6a,13,13a,13b,14,15,15a-tetradecahydro-1H-naphtho[2',1':4,5]indeno[1,2-b]quinolin-2-ol
Basic information
- CAS
6218-13-9- Standard SMILES
CC12CCC3C(CCC4CC(O)CCC43C)C1Cc1cc3ccccc3nc12- InChIKey
VUBVDYBJJKSZCI-UHFFFAOYSA-N- Molecular formula
- C26H33NO
- Average molar mass
- 375.5 g/mol
- Monoisotopic mass
- 375.25621468
Names & identifiers
- Preferred name
- 4a,6a-Dimethyl-2,3,4,4a,4b,5,6,6a,13,13a,13b,14,15,15a-tetradecahydro-1H-naphtho[2',1':4,5]indeno[1,2-b]quinolin-2-ol
- IUPAC
- 10,14-dimethyl-16-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-15,17,19,21,23-pentaen-7-ol
Names & synonyms
NSC649996218-13-9NCIOpen2_0080294a,6a-Dimethyl-2,3,4,4a,4b,5,6,6a,13,13a,13b,14,15,15a-tetradecahydro-1H-naphtho[2',1':4,5]indeno[1,2-b]quinolin-2-ol
Database identifiers
- CAS
6218-13-9- PubChem CID
- 494022
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 620
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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