TPCN01872

Name Chloramultiols A
Molecular Formula C40H44O14
Molecular Weight 748.78
CAS Registry Number 1221236-49-2
SMILES COC(=O)C(C)=C1C(=O)C(O)C2(C)C3=C(C(O)C4C5(OC(=O)C6=C5CC5C(O)(COC(=O)C(C)=CCOC(=O)CCC(=O)OC6)C6CC6C54C)C13)C1CC12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Chloranthaceae Chloranthus multistachys Whole plants 0.000070% J Nat Prod 73(5): 972-975.(2010) 10.1021/np900764n
Properties
HBA 14 HBD 3
HeavyAtoms 54 AlogP 1.35
TPSA 209.26 RotatableBonds 1
FractionCSP3 0.65 Rings 9
AromaticRings 0 AliphaticRings 9