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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000282

Emarginatine E

Formula: C39H46N2O17  |  Mol. Weight: 814.80 g/mol

IUPAC: [(1S,3R,13S,14S,17S,18R,19R,20R,21S,22S,23R,24R,25S)-22,24-diacetyloxy-20-(acetyloxymethyl)-19,21,25-trihydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-18-yl] 1-methyl-6-oxopyridine-3-carboxylate

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Overview

Molecular Formula C39H46N2O17
Molecular Weight 814.80 g/mol
Canonical SMILES CC1C(C(=O)OC2C(C(C3(C(C(C4C(C3(C2(C)O)OC4(COC(=O)C5=C1N=CC=C5)C)OC(=O)C)OC(=O)C)O)COC(=O)C)O)OC(=O)C6=CN(C(=O)C=C6)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy