TPCN02303

Name Caesaldecan
Molecular Formula C25H38O5
Molecular Weight 418.57
CAS Registry Number 857843-20-0
SMILES C=CC1=C(C)C2CC(O)C3C(C)(CCC(OC(=O)CC(C)C)C3(C)C(=O)O)C2CC1
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Caesalpinia decapetala Leaves 0.003000% Chem Pharm Bull (Tokyo) 53, 428-430 (2005). 10.1248/cpb.53.428
Properties
HBA 5 HBD 2
HeavyAtoms 30 AlogP 4.74
TPSA 83.83 RotatableBonds 5
FractionCSP3 0.76 Rings 3
AromaticRings 0 AliphaticRings 3