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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP025690

[(1R,2R,3S,4R,5R,6S,8S,10R,11R,12R,15S)-3,4,6,11-tetraacetyloxy-2-hydroxy-1,15-dimethyl-9-methylidene-14-oxo-8-(3-phenylprop-2-enoyloxy)-16-oxatetracyclo[10.5.0.02,15.05,10]heptadecan-5-yl]methyl benzoate

Formula: C44H48O15  |  Mol. Weight: 816.80 g/mol

IUPAC: [(1R,2R,3S,4R,5R,6S,8S,10R,11R,12R,15S)-3,4,6,11-tetraacetyloxy-2-hydroxy-1,15-dimethyl-9-methylidene-14-oxo-8-(3-phenylprop-2-enoyloxy)-16-oxatetracyclo[10.5.0.02,15.05,10]heptadecan-5-yl]methyl benzoate

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Overview

Molecular Formula C44H48O15
Molecular Weight 816.80 g/mol
Canonical SMILES CC(=O)OC1CC(C(=C)C2C1(C(C(C3(C4(COC3(C(=O)CC4C2OC(=O)C)C)C)O)OC(=O)C)OC(=O)C)COC(=O)C5=CC=CC=C5)OC(=O)C=CC6=CC=CC=C6

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy