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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP026053

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

Formula: C37H52O15  |  Mol. Weight: 736.80 g/mol

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

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Overview

Molecular Formula C37H52O15
Molecular Weight 736.80 g/mol
Canonical SMILES CCC(C)C(=O)OC1C2CC(C2C3C4(C(C5(CC(C(C5C(C3(C1=O)CO4)OC(=O)C)OC(=O)C(C)C)(C)O)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