TPCN05084

Name Arisandilactone A
Molecular Formula C29H38O9
Molecular Weight 530.61
CAS Registry Number 1207862-47-2
SMILES CC1CC(C2OC3(C)CCC45OC(=CC3C2C)C(=O)C4CCC2C(C)(C)OC3CC(=O)OC32C5O)OC1=O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Schisandraceae Schisandra arisanensis Fruits 0.000621% Org Lett 12, 1016-1019 (2010). 10.1021/ol100024r
Properties
HBA 9 HBD 1
HeavyAtoms 38 AlogP 2.61
TPSA 117.59 RotatableBonds 1
FractionCSP3 0.83 Rings 7
AromaticRings 0 AliphaticRings 7