TPCN02709

Name 7-oxo-13beta,15-dihydroxyabiet-8(14)-en-18-oic acid
Molecular Formula C20H30O5
Molecular Weight 350.46
CAS Registry Number 959118-98-0
SMILES CC1(C(=O)O)CCCC2(C)C3CCC(O)(C(C)(C)O)C=C3C(=O)CC12
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Pinaceae Pinus koraiensis Whole plants 0.000356% Fitoterapia 79, 179-181 (2008). 10.1016/j.fitote.2007.11.015
Properties
HBA 5 HBD 3
HeavyAtoms 25 AlogP 2.69
TPSA 94.83 RotatableBonds 2
FractionCSP3 0.80 Rings 3
AromaticRings 0 AliphaticRings 3