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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP026047

[(1S,2R,3S,4R,5S,7R,8S,9R,10R,11S,12S,14R,15R)-2,7,8,12-tetraacetyloxy-5,9,12-trimethyl-15-(2-methylbutanoyloxy)-16-oxo-4-propanoyloxy-18-oxapentacyclo[7.7.2.01,10.03,7.011,14]octadecan-5-yl] benzoate

Formula: C43H54O16  |  Mol. Weight: 826.90 g/mol

IUPAC: [(1S,2R,3S,4R,5S,7R,8S,9R,10R,11S,12S,14R,15R)-2,7,8,12-tetraacetyloxy-5,9,12-trimethyl-15-(2-methylbutanoyloxy)-16-oxo-4-propanoyloxy-18-oxapentacyclo[7.7.2.01,10.03,7.011,14]octadecan-5-yl] benzoate

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Overview

Molecular Formula C43H54O16
Molecular Weight 826.90 g/mol
Canonical SMILES CCC(C)C(=O)OC1C2CC(C2C3C4(C(C5(CC(C(C5C(C3(C1=O)CO4)OC(=O)C)OC(=O)CC)(C)OC(=O)C6=CC=CC=C6)OC(=O)C)OC(=O)C)C)(C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy