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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP013636

Ajugarin-IV

Formula: C23H34O6  |  Mol. Weight: 406.50 g/mol

IUPAC: methyl (1R,4aR,5S,6R,8S,8aR)-8-acetyloxy-5,6,8a-trimethyl-5-[2-(5-oxo-2H-furan-3-yl)ethyl]-1,2,3,4,4a,6,7,8-octahydronaphthalene-1-carboxylate

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Overview

Molecular Formula C23H34O6
Molecular Weight 406.50 g/mol
Canonical SMILES CC1CC(C2(C(CCCC2C1(C)CCC3=CC(=O)OC3)C(=O)OC)C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy