Molecule ID: 122202618

IUPAC Name: (1S,4S,6S,7R,9S,10S,13R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-6,7-diol

Description: The molecule is an ent-kaurane diterpenoid in which the ent-kaurane skeleton has a double bond at C-15 and carries two alpha-configured hydroxy groups at C-2 and C-3. It has a role as a plant metabolite.

SMILES: CC1=C[C@@]23CC[C@@H]4C(C)(C)[C@H](O)[C@H](O)C[C@@]4(C)[C@@H]2CC[C@@H]1C3

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

InChI: InChI=1S/C20H32O2/c1-12-9-20-8-7-15-18(2,3)17(22)14(21)11-19(15,4)16(20)6-5-13(12)10-20/h9,13-17,21-22H,5-8,10-11H2,1-4H3/t13-,14-,15-,16+,17-,19-,20-/m1/s1

Molecular Properties:
- Polar Surface Area: 40.5 Ų
- LogP: 4.4