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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP019791

Ajugapantin A

Formula: C28H38O11  |  Mol. Weight: 550.60 g/mol

IUPAC: [(1R,4R,4aR,5S,7R,8S,8aR)-1,5-diacetyloxy-8-[(2S)-2-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl acetate

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Overview

Molecular Formula C28H38O11
Molecular Weight 550.60 g/mol
Canonical SMILES CC1CC(C2(C(C1(C)CC(C3=CC(=O)OC3)OC(=O)C)C(CCC24CO4)OC(=O)C)COC(=O)C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy