TPCN02951

Name Isovouacapenol E
Molecular Formula C34H36O6
Molecular Weight 540.66
CAS Registry Number 640739-47-5
SMILES C=C1c2ccoc2CC2C1CC(OC(=O)c1ccccc1)C1(O)C(C)(COC(=O)c3ccccc3)CCCC21C
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Caesalpinia pulcherrima Leaves 0.000150% Chem Pharm Bull (Tokyo) 51, 1208-1210 (2003). 10.1248/cpb.51.1208
Properties
HBA 6 HBD 1
HeavyAtoms 40 AlogP 6.50
TPSA 85.97 RotatableBonds 5
FractionCSP3 0.41 Rings 6
AromaticRings 3 AliphaticRings 3