Molecule ID: 70698056

IUPAC Name: (4S)-4-[(3R,5R,9R,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxolan-2-one

Description: The molecule is a tetracyclic triterpenoid found in Dysoxylum lenticellatum. It has a role as a metabolite and a plant metabolite. It is a tetracyclic triterpenoid and a butan-4-olide.

SMILES: CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@H]([C@H]5COC(=O)C5)CC[C@]4(C)C3=CC[C@@H]12

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

InChI: InChI=1S/C26H40O3/c1-23(2)20-7-6-19-18(24(20,3)11-10-21(23)27)9-13-25(4)17(8-12-26(19,25)5)16-14-22(28)29-15-16/h6,16-18,20-21,27H,7-15H2,1-5H3/t16-,17+,18+,20+,21-,24-,25+,26-/m1/s1

Molecular Properties:
- Polar Surface Area: 46.5 Ų
- LogP: 5.8