TPCN03329

Name 3,7-O-diacetyl-12-O-(2-methylbutanoyl)-8-O-methylingol
Molecular Formula C30H44O9
Molecular Weight 548.67
CAS Registry Number 928298-80-0
SMILES CCC(C)C(=O)OC1C(C)C(=O)C23CC(C)C(OC(C)=O)C2(C=C(C)C(OC(C)=O)C(OC)C2C1C2(C)C)O3
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Euphorbiaceae Euphorbia cornigera Roots 0.000100% Planta Med 2006; 72: 830±834 10.1055/s-2006-946683
Properties
HBA 9 HBD 0
HeavyAtoms 39 AlogP 3.81
TPSA 117.73 RotatableBonds 6
FractionCSP3 0.80 Rings 4
AromaticRings 0 AliphaticRings 4