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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP039224

[(1R,2S,6R,9R,10S,11R,12R,13S,14S,15R,16S,17R,18R,19S,22S,23S,25R)-10,12,14,16,17,23-hexahydroxy-22-[(3S)-3-hydroxy-3-methyl-2-oxopentoxy]-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-13-yl] (2R)-2-methylbutanoate

Formula: C38H61NO12  |  Mol. Weight: 723.90 g/mol

IUPAC: [(1R,2S,6R,9R,10S,11R,12R,13S,14S,15R,16S,17R,18R,19S,22S,23S,25R)-10,12,14,16,17,23-hexahydroxy-22-[(3S)-3-hydroxy-3-methyl-2-oxopentoxy]-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-13-yl] (2R)-2-methylbutanoate

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Overview

Molecular Formula C38H61NO12
Molecular Weight 723.90 g/mol
Canonical SMILES CCC(C)C(=O)OC1C(C2C(CN3CC(CCC3C2(C)O)C)C4C1(C5C(C(C6C7(C5(C4)OC6(C(CC7)OCC(=O)C(C)(CC)O)O)C)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy