TPCN01342

Name Henriol C
Molecular Formula C40H44O14
Molecular Weight 748.78
CAS Registry Number 1104615-25-9
SMILES COC(=O)C(C)=C1C(=O)C(O)C2(C)C3=C1C14OC(=O)C5=C1CC1C(O)(COC(=O)C(C)=CCOC(=O)CCC(=O)OC5)C5CC5C1(C)C4CC3(O)C1CC12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Chloranthaceae Chloranthus serratus Roots 0.000677% J Nat Prod 82, 407-411.(2019) 10.1021/acs.jnatprod.8b00418
Properties
HBA 14 HBD 3
HeavyAtoms 54 AlogP 1.49
TPSA 209.26 RotatableBonds 1
FractionCSP3 0.65 Rings 9
AromaticRings 0 AliphaticRings 9