TPCN01094

Name 2,3-dihydro-7-methoxy-2S*,3R*-dimethyl-3-[4,8-dimethyl-3(E),7-nonadie nyl]-furo]3,2-c]coumarin
Molecular Formula C25H32O4
Molecular Weight 396.53
CAS Registry Number 263746-15-2
SMILES COc1ccc2c3c(c(=O)oc2c1)C(C)(CCC=C(C)CCC=C(C)C)C(C)O3
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Ferula ferulaeoides Roots 0.002500% Chem Pharm Bull (Tokyo) 48(3): 353-356.(2000) 10.1248/cpb.48.353
Properties
HBA 4 HBD 0
HeavyAtoms 29 AlogP 6.31
TPSA 48.67 RotatableBonds 7
FractionCSP3 0.48 Rings 3
AromaticRings 2 AliphaticRings 1