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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP034059

methyl (1R,2S,3R,6R,8R,12S,13S,14R,15R,16S,17S)-12,15,16-trihydroxy-9,13-dimethyl-3-[(2S)-2-methylbutanoyl]oxy-4,11-dioxo-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate

Formula: C32H44O17  |  Mol. Weight: 700.70 g/mol

IUPAC: methyl (1R,2S,3R,6R,8R,12S,13S,14R,15R,16S,17S)-12,15,16-trihydroxy-9,13-dimethyl-3-[(2S)-2-methylbutanoyl]oxy-4,11-dioxo-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate

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Overview

Molecular Formula C32H44O17
Molecular Weight 700.70 g/mol
Canonical SMILES CCC(C)C(=O)OC1C2C34COC2(C(C(C3C5(C(CC4OC1=O)C(=C(C(=O)C5O)OC6C(C(C(C(O6)CO)O)O)O)C)C)O)O)C(=O)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy