TPCN03640

Name 3beta-acetoxy-urs-12-ene-11-one
Molecular Formula C32H50O3
Molecular Weight 482.75
CAS Registry Number 2348-66-5
SMILES CC(=O)OC1CCC2(C)C(CCC3(C)C2C(=O)C=C2C4C(C)C(C)CCC4(C)CCC23C)C1(C)C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Gleditsia sinensis Fruits 0.001450% J Nat Prod 62, 877-881 (1999). 10.1021/np990060m
Properties
HBA 3 HBD 0
HeavyAtoms 35 AlogP 7.77
TPSA 43.37 RotatableBonds 1
FractionCSP3 0.88 Rings 5
AromaticRings 0 AliphaticRings 5