TPCN04762

Name Belamcandal A
Molecular Formula C30H48O3
Molecular Weight 456.71
CAS Registry Number 2271358-40-6
SMILES C=C1CCC(=C(C)C=O)C(CCCO)C1(C)CCC=C(C)CC(O)C=C(C)CCC=C(C)C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Iridaceae Belamcanda chinensis Subterraneous stems 0.000041% Bioorg Chem 83: 20-28. 10.1016/j.bioorg.2018.08.039
Properties
HBA 3 HBD 2
HeavyAtoms 33 AlogP 7.42
TPSA 57.53 RotatableBonds 13
FractionCSP3 0.63 Rings 1
AromaticRings 0 AliphaticRings 1