Description
Daturabietatriene is isolated from the heartwoods of Pinus yunnanensis.
Synonyms
Abieta-8,11,13-triene-15,18-diol
IUPAC Name
2-[(4bS,8R,8aR)-8-(hydroxymethyl)-4b,8-dimethyl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl]propan-2-ol
Molecular Formula
C20H30O2
Canonical SMILES
CC1(CCCC2(C1CCC3=C2C=CC(=C3)C(C)(C)O)C)CO
InChI
InChI=1S/C20H30O2/c1-18(2,22)15-7-8-16-14(12-15)6-9-17-19(3,13-21)10-5-11-20(16,17)4/h7-8,12,17,21-22H,5-6,9-11,13H2,1-4H3/t17-,19-,20+/m0/s1
InChIKey
FKCPLBHSZGVMNG-YSIASYRMSA-N