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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP007981

[(1R,2S,3R,6S,7R,8R,9R,13R,14S,15R,18S,19R,22S)-3,8,18-triacetyloxy-22-[(1R)-1-acetyloxy-2-methoxy-2-oxoethyl]-6-(furan-3-yl)-15,19-dihydroxy-11,14,17-trimethyl-4-oxo-5,10,12,21-tetraoxaoctacyclo[9.9.1.12,7.114,17.01,13.02,7.09,13.015,19]tricosan-20-yl] 2-methylpropanoate

Formula: C41H48O20  |  Mol. Weight: 860.80 g/mol

IUPAC: [(1R,2S,3R,6S,7R,8R,9R,13R,14S,15R,18S,19R,22S)-3,8,18-triacetyloxy-22-[(1R)-1-acetyloxy-2-methoxy-2-oxoethyl]-6-(furan-3-yl)-15,19-dihydroxy-11,14,17-trimethyl-4-oxo-5,10,12,21-tetraoxaoctacyclo[9.9.1.12,7.114,17.01,13.02,7.09,13.015,19]tricosan-20-yl] 2-methylpropanoate

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Overview

Molecular Formula C41H48O20
Molecular Weight 860.80 g/mol
Canonical SMILES CC(C)C(=O)OC1C2(C(C3(CC2(C(C3C(C(=O)OC)OC(=O)C)(C45C16C78CC7(C(C4OC(O5)(O6)C)OC(=O)C)C(OC(=O)C8OC(=O)C)C9=COC=C9)C)O)C)OC(=O)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy