TPCN02583

Name 3alpha,6beta-dihydroxy-7,17-dioxo-ent-abieta-15(16)-ene
Molecular Formula C20H30O4
Molecular Weight 334.46
CAS Registry Number 1100157-51-4
SMILES C=C(C=O)C1CCC2C(C1)C(=O)C(O)C1C(C)(C)C(O)CCC21C
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Pinaceae Isodon inflexus Aerial parts 0.000614% Arch Pharm Res 31, 1381-1384 (2008). 10.1007/s12272-001-2120-3
Properties
HBA 4 HBD 2
HeavyAtoms 24 AlogP 2.52
TPSA 74.60 RotatableBonds 2
FractionCSP3 0.80 Rings 3
AromaticRings 0 AliphaticRings 3