TPCN01625

Name Spicachlorantins H
Molecular Formula C31H34O7
Molecular Weight 518.61
CAS Registry Number 1393882-58-0
SMILES C=C1C2CC2C2(C)C1CC1=C(C)C(=O)OC13C1=C4C(O)(CC32)C2CC2C4(C)C(O)C2(OC)OC(=O)C(C)=C12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Chloranthus spicatus Roots 0.000255% Chem Pharm Bull (Tokyo) 59(10): 1281-1284.(2011) 10.1248/cpb.59.1281
Properties
HBA 7 HBD 2
HeavyAtoms 38 AlogP 3.12
TPSA 102.29 RotatableBonds 1
FractionCSP3 0.68 Rings 9
AromaticRings 0 AliphaticRings 9