TPCN05794

Name 3b-acetoxyurs-11-en-13b,28-olide
Molecular Formula C32H48O4
Molecular Weight 496.73
CAS Registry Number 35959-08-1
SMILES CC(=O)OC1CCC2(C)C(CCC3(C)C2C=CC24OC(=O)C5(CCC(C)C(C)C52)CCC34C)C1(C)C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rosaceae Chaenomeles speciosa Fruits 0.000360% J Asian Nat Prod Res. 2008 Mar-Apr;10(3-4):217-22. 10.1080/10286020701395370.
Properties
HBA 4 HBD 0
HeavyAtoms 36 AlogP 7.11
TPSA 52.60 RotatableBonds 1
FractionCSP3 0.88 Rings 6
AromaticRings 0 AliphaticRings 6