TPCN03782

Name 1,2,3,16,19,20-hexahydroxyolean-12-en-28-oic acid
Molecular Formula C30H48O8
Molecular Weight 536.71
CAS Registry Number 1359872-38-0
SMILES CC1(C)C(O)C(O)C(O)C2(C)C1CCC1(C)C2CC=C2C3C(C(=O)O)(CCC(C)(O)C3(C)O)C(O)CC21C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Orobanchaceae Pedicularis kansuensis Aerial parts 0.000700% Fitoterapia 82, 854-860 (2011). 10.1016/j.fitote.2011.04.005
Properties
HBA 8 HBD 7
HeavyAtoms 38 AlogP 2.23
TPSA 158.68 RotatableBonds 1
FractionCSP3 0.90 Rings 5
AromaticRings 0 AliphaticRings 5