TPCN01687

Name Chololactones D
Molecular Formula C33H36O8
Molecular Weight 560.64
CAS Registry Number 2095256-90-7
SMILES C=C1C2CC2C2(COC(C)=O)C1CC1=C(C)C(=O)OC13C1C(=C(C)C(=O)OC)C(=O)C(O)C4(C)C1=C(CC32)C1CC14
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 8 HBD 1
HeavyAtoms 41 AlogP 3.40
TPSA 116.20 RotatableBonds 3
FractionCSP3 0.64 Rings 8
AromaticRings 0 AliphaticRings 8