Molecule ID: 12306150

IUPAC Name: (1R,2S,4aR,6aR,6aR,6bR,8aS,12aS,14aR,14bR)-1,2,4a,6a,6b,9,9,12a-octamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydro-1H-picene

Description: The molecule is a triterpene resulting from the migration of a methyl group in ring E of the oleanane precursor. It is a stereoisomer of the triterpene ursane (18alpha,19alpha,20beta-ursane).

SMILES: C[C@H]1[C@@H]2[C@H]3CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC[C@@H]1C

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

InChI: InChI=1S/C30H52/c1-20-12-16-27(5)18-19-29(7)22(25(27)21(20)2)10-11-24-28(6)15-9-14-26(3,4)23(28)13-17-30(24,29)8/h20-25H,9-19H2,1-8H3/t20-,21+,22+,23-,24+,25+,27+,28-,29+,30+/m0/s1

Molecular Properties:
- Polar Surface Area: 0.0 Ų
- LogP: 11.5