TPCN01262

Name Methyltianmushanol
Molecular Formula C40H44O14
Molecular Weight 748.78
CAS Registry Number 1029518-73-7
SMILES COC12OC(=O)C(C)=C1C1=C3C(O)(CC4C15OC(=O)C1=C5CC5C(O)(COC(=O)C(C)=CCOC(=O)CCC(=O)OC1)C1CC1C45C)C1CC1C3(C)C2O
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Chloranthaceae Chloranthus serratus Roots 0.001042% J Nat Prod 82, 407-411.(2019) 10.1021/acs.jnatprod.8b00418
Properties
HBA 14 HBD 3
HeavyAtoms 54 AlogP 1.65
TPSA 201.42 RotatableBonds 1
FractionCSP3 0.68 Rings 10
AromaticRings 0 AliphaticRings 10