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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009286

methyl (2S)-2-hydroxy-2-[(1R,6R,7R,8R,9R,10S,12S,14R,15R,16S,17R,18S,19S,20R)-8,9,18-triacetyloxy-15-(acetyloxymethyl)-6-(furan-3-yl)-20-hydroxy-7,12,17-trimethyl-19-(2-methylpropanoyl)-4-oxo-5,11,13,21-tetraoxaheptacyclo[10.8.1.114,17.01,10.02,7.010,15.014,19]docos-2-en-16-yl]acetate

Formula: C41H48O19  |  Mol. Weight: 844.80 g/mol

IUPAC: methyl (2S)-2-hydroxy-2-[(1R,6R,7R,8R,9R,10S,12S,14R,15R,16S,17R,18S,19S,20R)-8,9,18-triacetyloxy-15-(acetyloxymethyl)-6-(furan-3-yl)-20-hydroxy-7,12,17-trimethyl-19-(2-methylpropanoyl)-4-oxo-5,11,13,21-tetraoxaheptacyclo[10.8.1.114,17.01,10.02,7.010,15.014,19]docos-2-en-16-yl]acetate

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Overview

Molecular Formula C41H48O19
Molecular Weight 844.80 g/mol
Canonical SMILES CC(C)C(=O)C12C(C34C5=CC(=O)OC(C5(C(C(C36C7(C1(CC(C7C(C(=O)OC)O)(C2OC(=O)C)C)OC(O6)(O4)C)COC(=O)C)OC(=O)C)OC(=O)C)C)C8=COC=C8)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy