TPCN03324

Name 3,12-O-diacetyl7-O-(2-methylbutanoyl)-8-O-methylingol
Molecular Formula C30H44O9
Molecular Weight 548.67
CAS Registry Number 928298-79-7
SMILES CCC(C)C(=O)OC1C(C)=CC23OC2(CC(C)C3OC(C)=O)C(=O)C(C)C(OC(C)=O)C2C(C1OC)C2(C)C
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Euphorbiaceae Euphorbia cornigera Roots 0.000180% 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