TPCN01686

Name Chololactones A
Molecular Formula C36H40O9
Molecular Weight 616.71
CAS Registry Number 2095256-88-3
SMILES C=C1C(=O)OC23C4=C5C(=O)C(O)C6(C)C4=C(CC2C2(C)C4CC4C(O)(COC(=O)C(C)=CC)C2CC13C5(C)C(=O)OC)C1CC16
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Chloranthaceae Chloranthus holostegius Roots 0.000200% Phytochemistry 137: 117-122.(2017) 10.1016/j.phytochem.2017.02.016
Properties
HBA 9 HBD 2
HeavyAtoms 45 AlogP 3.15
TPSA 136.43 RotatableBonds 4
FractionCSP3 0.67 Rings 9
AromaticRings 0 AliphaticRings 9