TPCN05667

Name 3??,6??-Dihydroxyolean-12-en-27-oic acid
Molecular Formula C30H48O4
Molecular Weight 472.71
CAS Registry Number 41411-00-1
SMILES CC1(C)CCC2(C)CCC3(C(=O)O)C(=CCC4C5(C)CCC(O)C(C)(C)C5C(O)CC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Saxifragaceae Astilbe chinensis Subterraneous stems 0.084000% Acta Crystallogr C. 2004 Apr;60(Pt 4):o300-2. 10.1107/S0108270104005530
Properties
HBA 4 HBD 3
HeavyAtoms 34 AlogP 6.20
TPSA 77.76 RotatableBonds 1
FractionCSP3 0.90 Rings 5
AromaticRings 0 AliphaticRings 5