TPCN01050

Name Szowitsiacoumarin B
Molecular Formula C24H30O4
Molecular Weight 382.50
CAS Registry Number 932392-14-8
SMILES CC1CC=C2C(CCC(O)C2(C)C)C1(C)COc1ccc2ccc(=O)oc2c1
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Apiaceae Ferula szowitsiana Roots 0.003200% Phytochemistry 68(4): 554-561.(2007) 10.1016/j.phytochem.2006.11.002
Properties
HBA 4 HBD 1
HeavyAtoms 28 AlogP 4.94
TPSA 59.67 RotatableBonds 3
FractionCSP3 0.54 Rings 4
AromaticRings 2 AliphaticRings 2