TPCN06351

Name 3-oxo-urs-11, 13(18)-dien-19, 28-olide
Molecular Formula C30H42O3
Molecular Weight 450.66
CAS Registry Number 2672539-60-3
SMILES CC1CCC23CCC4(C)C(=C2C1(C)OC3=O)C=CC1C2(C)CCC(=O)C(C)(C)C2CCC14C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rosaceae Sanguisorba officinalis Roots 0.000206% None 10.1080/14786419.2019.1693569
Properties
HBA 3 HBD 0
HeavyAtoms 33 AlogP 6.81
TPSA 43.37 RotatableBonds 0
FractionCSP3 0.80 Rings 6
AromaticRings 0 AliphaticRings 6