TPCN04746

Name R1-barrigenol
Molecular Formula C30H50O6
Molecular Weight 506.72
CAS Registry Number 15399-43-6
SMILES CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C(O)C(O)C2(CO)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Sapindaceae Xanthoceras sorbifolia Husks 0.000060% J Asian Nat Prod Res 9(3-5): 387-392. 10.1080/10286020600782017
Properties
HBA 6 HBD 6
HeavyAtoms 36 AlogP 3.02
TPSA 121.38 RotatableBonds 1
FractionCSP3 0.93 Rings 5
AromaticRings 0 AliphaticRings 5