Molecule ID: 14262611

IUPAC Name: (1R,2R,5S,7R,10R,11R,14S,16S)-2,5,7,10,15,15-hexamethyl-7-(4-methylpent-3-enyl)-19-oxapentacyclo[14.2.1.01,14.02,11.05,10]nonadecane

Description: The molecule is a pentacyclic triterpenoid that is perhydrochrysene which is substituted by methyl groups at positions 1, 1, 4bbeta, 6aalpha, 8beta and 10abeta positions, by a 4-methylpent-3-enyl group at the 8alpha position, and with a beta-oxygen bridge between the 2 and the 4a positions.

SMILES: CC(C)=CCC[C@]1(C)CC[C@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H]5CC[C@]4(O5)[C@]3(C)CC[C@@]2(C)C1

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

InChI: InChI=1S/C30H50O/c1-21(2)10-9-14-26(5)16-18-28(7)23-12-11-22-25(3,4)24-13-15-30(22,31-24)29(23,8)19-17-27(28,6)20-26/h10,22-24H,9,11-20H2,1-8H3/t22-,23+,24-,26+,27-,28+,29+,30+/m0/s1

Molecular Properties:
- Polar Surface Area: 9.2 Ų
- LogP: 9.9