TPCN04605

Name 16-deoxybarringtogenol C
Molecular Formula C30H50O4
Molecular Weight 474.73
CAS Registry Number 24399-62-0
SMILES CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(CO)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Sapindaceae Xanthoceras sorbifolia Husks 0.000200% J Asian Nat Prod Res 9(3-5): 387-392. 10.1080/10286020600782017
Properties
HBA 4 HBD 4
HeavyAtoms 34 AlogP 5.08
TPSA 80.92 RotatableBonds 1
FractionCSP3 0.93 Rings 5
AromaticRings 0 AliphaticRings 5