Molecule ID: 56927943

IUPAC Name: [(1S,4aR,4bR,7R,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthren-1-yl]methanol

Description: The molecule is a pimarane diterpenoid that is pimarane which has been dehyrogenated to introduce double bonds at positions 7-8 and 15-16, which has a beta-hydrogen in place of an alpha-hydrogen at position 9, and in which one of the hydrogens of the beta-methyl group at position 4 has been replaced by a hydroxy group. It is a pimarane diterpenoid and a primary alcohol.

SMILES: C=C[C@]1(C)CC[C@@H]2C(=CC[C@H]3[C@@](C)(CO)CCC[C@]23C)C1

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

InChI: InChI=1S/C20H32O/c1-5-18(2)12-9-16-15(13-18)7-8-17-19(3,14-21)10-6-11-20(16,17)4/h5,7,16-17,21H,1,6,8-14H2,2-4H3/t16-,17+,18-,19-,20-/m1/s1

Molecular Properties:
- Polar Surface Area: 20.2 Ų
- LogP: 5.4