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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003192

methyl 2-[(1S,2S,3R,4S,5S,6R,11R,12S,13R,14R,15R,17R,18S)-3,12,14-triacetyloxy-1-(acetyloxymethyl)-6-(furan-3-yl)-2,4,11,13,17-pentahydroxy-5,15-dimethyl-8-oxo-7-oxapentacyclo[13.2.1.02,11.05,10.013,17]octadecan-18-yl]acetate

Formula: C35H44O18  |  Mol. Weight: 752.70 g/mol

IUPAC: methyl 2-[(1S,2S,3R,4S,5S,6R,11R,12S,13R,14R,15R,17R,18S)-3,12,14-triacetyloxy-1-(acetyloxymethyl)-6-(furan-3-yl)-2,4,11,13,17-pentahydroxy-5,15-dimethyl-8-oxo-7-oxapentacyclo[13.2.1.02,11.05,10.013,17]octadecan-18-yl]acetate

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Overview

Molecular Formula C35H44O18
Molecular Weight 752.70 g/mol
Canonical SMILES CC(=O)OCC12C(C3(CC1(C(C3OC(=O)C)(C(C4(C2(C(C(C5(C4CC(=O)OC5C6=COC=C6)C)O)OC(=O)C)O)O)OC(=O)C)O)O)C)CC(=O)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy