Molecule ID: 52937173

IUPAC Name: (1S,4aS,10aR)-5-hydroxy-1,4a-dimethyl-8-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbaldehyde

Description: The molecule is an abietane diterpenoid that is podocarpa-8,11,13-triene substituted by a propan-2-yl group at position 14, a hydroxy group at position 11 and a formyl group at position 16. It is isolated from Podocarpus latifolius. It has a role as a metabolite. It is an abietane diterpenoid, a member of phenols and an aldehyde.

SMILES: CC(C)c1ccc(O)c2c1CC[C@H]1[C@@](C)(C=O)CCC[C@]21C

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

InChI: InChI=1S/C20H28O2/c1-13(2)14-6-8-16(22)18-15(14)7-9-17-19(3,12-21)10-5-11-20(17,18)4/h6,8,12-13,17,22H,5,7,9-11H2,1-4H3/t17-,19+,20-/m0/s1

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 5.2