Molecule ID: 92449689

IUPAC Name: (3S)-3-[(3E,7E,11E,15E)-18-[(2S)-3,3-dimethyloxiran-2-yl]-3,7,12,16-tetramethyloctadeca-3,7,11,15-tetraenyl]-2,2-dimethyloxirane

Description: The molecule is a squalene triterpenoid obtained by epoxidation accross the 2,3- and 22,23-double bonds of squalene. It has a role as a plant metabolite. It is an epoxide and a squalene triterpenoid.

SMILES: C/C(=C\CC/C=C(\C)CC/C=C(\C)CC[C@@H]1OC1(C)C)CC/C=C(\C)CC[C@@H]1OC1(C)C

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

InChI: InChI=1S/C30H50O2/c1-23(15-11-17-25(3)19-21-27-29(5,6)31-27)13-9-10-14-24(2)16-12-18-26(4)20-22-28-30(7,8)32-28/h13-14,17-18,27-28H,9-12,15-16,19-22H2,1-8H3/b23-13+,24-14+,25-17+,26-18+/t27-,28-/m0/s1

Molecular Properties:
- Polar Surface Area: 25.1 Ų
- LogP: 9.0