TPCN03323

Name 7,8,12-O-triacetyl-3-O-(2-methylbutanoyl)ingol
Molecular Formula C31H44O10
Molecular Weight 576.68
CAS Registry Number 928298-74-2
SMILES CCC(C)C(=O)OC1C(C)CC23OC12C=C(C)C(OC(C)=O)C(OC(C)=O)C1C(C(OC(C)=O)C(C)C3=O)C1(C)C
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Euphorbiaceae Euphorbia cornigera Roots 0.000200% Planta Med 2006; 72: 830±834 10.1055/s-2006-946683
Properties
HBA 10 HBD 0
HeavyAtoms 41 AlogP 3.72
TPSA 134.80 RotatableBonds 6
FractionCSP3 0.77 Rings 4
AromaticRings 0 AliphaticRings 4