TPCN04792

Name 16-O-acetylisoiridogermanal
Molecular Formula C32H52O5
Molecular Weight 516.76
CAS Registry Number 194873-63-7
SMILES CC(=O)OC(CC=C(C)CCC=C(C)C)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 0.000019% Bioorg Chem 83: 20-28. 10.1016/j.bioorg.2018.08.039
Properties
HBA 5 HBD 2
HeavyAtoms 37 AlogP 7.18
TPSA 83.83 RotatableBonds 14
FractionCSP3 0.69 Rings 1
AromaticRings 0 AliphaticRings 1