Molecule ID: 53355686

IUPAC Name: (4aS,7R,8aR)-5-[2-[(1S,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-6-oxo-1,3,4,4a,7,8-hexahydronaphthalen-1-yl]ethyl]-7-hydroxy-1,1,4a,6-tetramethyl-4,7,8,8a-tetrahydro-3H-naphthalen-2-one

Description: The molecule is a triterpenoid of the class of onoceranoid-type terpenoids isolated from the twigs of Lansium domesticum. It has a role as a metabolite, an antibacterial agent and a plant metabolite. It is a cyclic terpene ketone, a secondary alcohol, a triterpenoid and a member of octahydronaphthalenes.

SMILES: C=C1CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1CCC1=C(C)[C@H](O)C[C@H]2C(C)(C)C(=O)CC[C@]12C

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

InChI: InChI=1S/C30H46O3/c1-18-9-12-23-27(3,4)25(32)13-15-29(23,7)20(18)10-11-21-19(2)22(31)17-24-28(5,6)26(33)14-16-30(21,24)8/h20,22-24,31H,1,9-17H2,2-8H3/t20-,22+,23-,24-,29+,30+/m0/s1

Molecular Properties:
- Polar Surface Area: 54.4 Ų
- LogP: 5.0