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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP039174

methyl 2-[(1S,2S,3R,5S,7R,8R,9R,10R,11R,12S,13S,14R,16R,17S)-1,9,10,17-tetraacetyloxy-8-[(S)-acetyloxy(furan-3-yl)methyl]-12-(acetyloxymethyl)-11,16-dihydroxy-5,8,14-trimethyl-4,18-dioxahexacyclo[12.2.1.12,5.03,7.03,11.012,16]octadecan-13-yl]acetate

Formula: C40H50O19  |  Mol. Weight: 834.80 g/mol

IUPAC: methyl 2-[(1S,2S,3R,5S,7R,8R,9R,10R,11R,12S,13S,14R,16R,17S)-1,9,10,17-tetraacetyloxy-8-[(S)-acetyloxy(furan-3-yl)methyl]-12-(acetyloxymethyl)-11,16-dihydroxy-5,8,14-trimethyl-4,18-dioxahexacyclo[12.2.1.12,5.03,7.03,11.012,16]octadecan-13-yl]acetate

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Overview

Molecular Formula C40H50O19
Molecular Weight 834.80 g/mol
Canonical SMILES CC(=O)OCC12C(C3(CC1(C(C3OC(=O)C)(C4C56C2(C(C(C(C5CC(O4)(O6)C)(C)C(C7=COC=C7)OC(=O)C)OC(=O)C)OC(=O)C)O)OC(=O)C)O)C)CC(=O)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy