TPCN05859

Name (20 S)-3??,10??-Epoxy-9-epi-cucurbitan-24,25-ozonide
Molecular Formula C30H50O4
Molecular Weight 474.73
CAS Registry Number 641637-83-4
SMILES CC(CCC1OOC(C)(C)O1)C1CCC2(C)C1CCC1(C)C34CCC(O3)C(C)(C)C4CCC21C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Senecio selloi Aerial parts 0.000054% Arch Pharm (Weinheim). 2003 Jul;336(4-5):205-7. 10.1002/ardp.200300740.
Properties
HBA 4 HBD 0
HeavyAtoms 34 AlogP 7.65
TPSA 36.92 RotatableBonds 4
FractionCSP3 1.00 Rings 6
AromaticRings 0 AliphaticRings 6