TPCN02789

Name Caesaldekarin A
Molecular Formula C22H32O4
Molecular Weight 360.49
CAS Registry Number 163658-52-4
SMILES CC(=O)OC1CC2C(C)c3ccoc3CC2C2(C)CCCC(C)(C)C12O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Caesalpinia decapetala Seeds 0.000270% J Asian Nat Prod Res 18, 371-375 (2016). 10.1080/10286020.2015.1055255
Fabaceae Caesalpinia pulcherrima Leaves 0.000200% Chem Pharm Bull (Tokyo) 51, 1208-1210 (2003). 10.1248/cpb.51.1208
Properties
HBA 4 HBD 1
HeavyAtoms 26 AlogP 4.45
TPSA 59.67 RotatableBonds 1
FractionCSP3 0.77 Rings 4
AromaticRings 1 AliphaticRings 3