TPCN01618

Name Chololactone F
Molecular Formula C41H48O14
Molecular Weight 764.82
CAS Registry Number 1312416-17-3
SMILES COC(=O)CCC(=O)OCC1=C2CC3C(O)(COC(=O)C=C(C)CO)C4CC4C3(C)C3CC4=C5C(C(=C(C)C(=O)OC)C(=O)C(O)C5(C)C5CC45)C23OC1=O
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Chloranthaceae Chloranthus serratus Roots 0.000260% J Nat Prod 82, 407-411.(2019) 10.1021/acs.jnatprod.8b00418
Chloranthaceae Chloranthus holostegius Roots 0.000150% Phytochemistry 137: 117-122.(2017) 10.1016/j.phytochem.2017.02.016
Properties
HBA 14 HBD 3
HeavyAtoms 55 AlogP 1.99
TPSA 209.26 RotatableBonds 10
FractionCSP3 0.66 Rings 8
AromaticRings 0 AliphaticRings 8