Molecule ID: 15432633

IUPAC Name: (5S,8R,9R,10S,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-(6-methylhepta-1,5-dien-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene

Description: The molecule is a triterpene that is dammarane containing one double bond between the 20 and 21 positions, and another between the 24 and 25 positions. It is a triterpene and a steroid. It derives from a hydride of a dammarane.

SMILES: C=C(CCC=C(C)C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]12C

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

InChI: InChI=1S/C30H50/c1-21(2)11-9-12-22(3)23-15-19-29(7)24(23)13-14-26-28(6)18-10-17-27(4,5)25(28)16-20-30(26,29)8/h11,23-26H,3,9-10,12-20H2,1-2,4-8H3/t23-,24-,25+,26-,28+,29-,30-/m1/s1

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