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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001128

8 beta-(4-Acetoxy-5-hydroxytigloyloxy)costunolide

Formula: C22H28O7  |  Mol. Weight: 404.50 g/mol

IUPAC: [(3aR,4R,6E,10E,11aR)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-acetyloxy-2-(hydroxymethyl)but-2-enoate

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Overview

Molecular Formula C22H28O7
Molecular Weight 404.50 g/mol
Canonical SMILES CC1=CC2C(C(CC(=CCC1)C)OC(=O)C(=CCOC(=O)C)CO)C(=C)C(=O)O2

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy