Molecule ID: 101062652

IUPAC Name: (4bS,8aR)-4b,8,8-trimethyl-2-propan-2-yl-6,8a,9,10-tetrahydro-5H-phenanthrene-1,4,7-trione

Description: The molecule is an abietane diterpenoid with formula C20H26O3, originally isolated from Tripterygium hypoglaucum. It has a role as a plant metabolite. It is a member of p-quinones, an abietane diterpenoid, a carbotricyclic compound, a cyclic terpene ketone and a tricyclic diterpenoid.

SMILES: CC(C)C1=CC(=O)C2=C(CC[C@H]3C(C)(C)C(=O)CC[C@]23C)C1=O

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

InChI: InChI=1S/C20H26O3/c1-11(2)13-10-14(21)17-12(18(13)23)6-7-15-19(3,4)16(22)8-9-20(15,17)5/h10-11,15H,6-9H2,1-5H3/t15-,20-/m0/s1

Molecular Properties:
- Polar Surface Area: 51.2 Ų
- LogP: 3.4