TPCN04178

Name 3??-hydroxy-lup-20(29)en-23, 28-dioic acid
Molecular Formula C30H46O5
Molecular Weight 486.69
CAS Registry Number 83725-39-7
SMILES C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C(=O)O)C5CCC43C)C12
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Araliaceae Oplopanax horridus Leaves 0.113333% Nat Prod Commun 5(7): 1019-1022. 10.1177/1934578X1000500706
Properties
HBA 5 HBD 3
HeavyAtoms 35 AlogP 6.15
TPSA 94.83 RotatableBonds 3
FractionCSP3 0.87 Rings 5
AromaticRings 0 AliphaticRings 5