Molecule ID: 443487

IUPAC Name: (1R,3S,5S,8R,13S)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-ene-5,13-diol

Description: The molecule is a taxane diterpenoid that is taxane which contains double bounds at the 4-20 and 11-12 positions and which is substituted by hydroxy groups at the 5alpha and 13alpha positions. It has a role as a metabolite. It is a taxane diterpenoid, a diol and a secondary alcohol.

SMILES: C=C1[C@H]2C[C@@H]3C[C@H](O)C(C)=C(CC[C@]2(C)CC[C@@H]1O)C3(C)C

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

InChI: InChI=1S/C20H32O2/c1-12-15-6-8-20(5)9-7-17(21)13(2)16(20)10-14(11-18(12)22)19(15,3)4/h14,16-18,21-22H,2,6-11H2,1,3-5H3/t14-,16-,17+,18+,20-/m1/s1

Molecular Properties:
- Polar Surface Area: 40.5 Ų
- LogP: 3.2