TPCN04635

Name Thysanolactone
Molecular Formula C30H46O3
Molecular Weight 454.70
CAS Registry Number 78835-06-0
SMILES C=C(C)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)C4OC(OC4=O)C(C)(C)C3CCC21C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Gentianaceae Megacodon stylophorus Whole plants 0.000165% Planta Med 80(11): 936-941. 10.1055/s-0034-1368612
Properties
HBA 3 HBD 0
HeavyAtoms 33 AlogP 7.15
TPSA 35.53 RotatableBonds 1
FractionCSP3 0.90 Rings 6
AromaticRings 0 AliphaticRings 6