Molecule ID: 442493

IUPAC Name: 1-[(4aS,5R,7S,8aR)-5-[[(1R,2S,5S,9S,11R,13S,17R)-2-hydroxy-11,14-dimethyl-6,14-diazatetracyclo[7.6.2.02,7.013,17]heptadec-6-en-5-yl]methyl]-7-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone

Description: The molecule is an organonitrogen heterocyclic compound that is lucidine B in which the hydrogen at the 4a position of the dodecahydrobenzo[5,6]cyclohepta[1,2-b]pyridinyl moiety is substituted by a hydroxy group. It is an organonitrogen heterocyclic compound, a tertiary alcohol, a tertiary amino compound and a decahydroquinoline alkaloid. It derives from a lucidine B.

SMILES: CC(=O)N1CCC[C@H]2[C@@H](C[C@@H]3CC[C@@]4(O)C(=N3)C[C@@H]3C[C@@H](C)C[C@H]5[C@@H]3C[C@@H]4CN5C)C[C@H](C)C[C@H]21

SELFIES: [C][C][=Branch1][C][=O][N][C][C][C][C@H1][C@@H1][Branch2][Ring2][Ring2][C][C@@H1][C][C][C@@][Branch1][C][O][C][=Branch1][Ring2][=N][Ring1][#Branch1][C][C@@H1][C][C@@H1][Branch1][C][C][C][C@H1][C@@H1][Ring1][#Branch1][C][C@@H1][Ring1][=C][C][N][Ring1][=Branch1][C][C][C@H1][Branch1][C][C][C][C@H1][Ring2][Ring1][N][Ring2][Ring1][S]

InChI: InChI=1S/C30H49N3O2/c1-18-11-22-15-29-30(35,23-16-26(22)27(12-18)32(4)17-23)8-7-24(31-29)14-21-10-19(2)13-28-25(21)6-5-9-33(28)20(3)34/h18-19,21-28,35H,5-17H2,1-4H3/t18-,19+,21-,22+,23-,24+,25+,26-,27+,28-,30+/m1/s1

Molecular Properties:
- Polar Surface Area: 56.1 Ų
- LogP: 4.2