TPCN04146

Name 3??-hydroxy-24-norurs4(23),12-dien-28-oic acid
Molecular Formula C29H44O3
Molecular Weight 440.67
CAS Registry Number 1639120-72-1
SMILES C=C1C(O)CCC2(C)C1CCC1(C)C2CC=C2C3C(C)C(C)CCC3(C(=O)O)CCC21C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Araliaceae Metapanax davidii Barks 0.000034% Phytochemistry, 1995, 38, 695-698. 10.1016/0031-9422(94)00706-y
Properties
HBA 3 HBD 2
HeavyAtoms 32 AlogP 6.62
TPSA 57.53 RotatableBonds 1
FractionCSP3 0.83 Rings 5
AromaticRings 0 AliphaticRings 5