TPCN04801

Name Isoiridogermanal
Molecular Formula C30H50O4
Molecular Weight 474.73
CAS Registry Number 86293-25-6
SMILES CC(C)=CCCC(C)=CCC(O)C(C)=CCCC1(C)C(CCCO)C(=C(C)C=O)CCC1(C)O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Iridaceae Belamcanda chinensis Subterraneous stems 0.000010% Bioorg Chem 83: 20-28. 10.1016/j.bioorg.2018.08.039
Properties
HBA 4 HBD 3
HeavyAtoms 34 AlogP 6.61
TPSA 77.76 RotatableBonds 13
FractionCSP3 0.70 Rings 1
AromaticRings 0 AliphaticRings 1