TPCN01142

Name Spicachlorantin A
Molecular Formula C39H40O14
Molecular Weight 732.74
CAS Registry Number 1394052-39-1
SMILES CC1=CCOC(=O)CCC(=O)OCC2=C3CC4C(O)(COC1=O)C1CC1C4(C)C1CC4(O)C5=C(C6=C(C)C(=O)OC6(O)C(=O)C5(C)C5CC54)C31OC2=O
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Chloranthaceae Chloranthus serratus Roots 0.001823% J Nat Prod 82, 407-411.(2019) 10.1021/acs.jnatprod.8b00418
Properties
HBA 14 HBD 3
HeavyAtoms 53 AlogP 1.20
TPSA 209.26 RotatableBonds 0
FractionCSP3 0.64 Rings 10
AromaticRings 0 AliphaticRings 10