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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP007991

methyl (2S)-2-acetyloxy-2-[(1R,2R,6S,7S,8S,10S,12S,14S,15R,16S,17R,18R,19R,20R)-8,18,20-triacetyloxy-6-(furan-3-yl)-7,12,15,17-tetramethyl-4-oxo-5,11,13,21-tetraoxaheptacyclo[10.8.1.114,17.01,10.02,7.010,15.014,19]docosan-16-yl]acetate

Formula: C37H44O16  |  Mol. Weight: 744.70 g/mol

IUPAC: methyl (2S)-2-acetyloxy-2-[(1R,2R,6S,7S,8S,10S,12S,14S,15R,16S,17R,18R,19R,20R)-8,18,20-triacetyloxy-6-(furan-3-yl)-7,12,15,17-tetramethyl-4-oxo-5,11,13,21-tetraoxaheptacyclo[10.8.1.114,17.01,10.02,7.010,15.014,19]docosan-16-yl]acetate

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Overview

Molecular Formula C37H44O16
Molecular Weight 744.70 g/mol
Canonical SMILES CC(=O)OC1CC23C4(C(C5(CC46C(C5OC(=O)C)C(C2(C7C1(C(OC(=O)C7)C8=COC=C8)C)OC(O3)(O6)C)OC(=O)C)C)C(C(=O)OC)OC(=O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy