Molecule ID: 441706

IUPAC Name: (1S,5R,10R,11S,12R,14S,16R,17R)-7-(2-hydroxyethyl)-5-methyl-13-methylidene-9-oxa-7-azahexacyclo[8.6.2.211,14.01,8.05,17.011,16]icosan-12-ol

Description: The molecule is a diterpenoid, an organic heterohexacyclic compound, a tertiary amino compound, a cyclic ether, a primary alcohol, a secondary alcohol and an olefinic compound. It has a role as a plant metabolite. It derives from a hydride of an atidane.

SMILES: C=C1[C@H]2CC[C@]3([C@@H]1O)[C@H]1C[C@@H]4[C@@]5(C)CCC[C@@]4(C(O1)N(CCO)C5)[C@@H]3C2

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

InChI: InChI=1S/C22H33NO3/c1-13-14-4-7-22(18(13)25)16(10-14)21-6-3-5-20(2)12-23(8-9-24)19(21)26-17(22)11-15(20)21/h14-19,24-25H,1,3-12H2,2H3/t14-,15+,16-,17+,18+,19?,20-,21-,22+/m0/s1

Molecular Properties:
- Polar Surface Area: 52.9 Ų
- LogP: 2.4