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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP026130

[(1R,2R,3R,4S,5S,7R,9S,12S,15R,16R)-7,15-diacetyloxy-5,9,11,11-tetramethyl-1-(2-methylpropanoyloxymethyl)-8-oxo-4-propanoyloxy-10-oxatetracyclo[7.6.1.03,7.012,16]hexadec-13-en-2-yl] benzoate

Formula: C38H48O12  |  Mol. Weight: 696.80 g/mol

IUPAC: [(1R,2R,3R,4S,5S,7R,9S,12S,15R,16R)-7,15-diacetyloxy-5,9,11,11-tetramethyl-1-(2-methylpropanoyloxymethyl)-8-oxo-4-propanoyloxy-10-oxatetracyclo[7.6.1.03,7.012,16]hexadec-13-en-2-yl] benzoate

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Overview

Molecular Formula C38H48O12
Molecular Weight 696.80 g/mol
Canonical SMILES CCC(=O)OC1C(CC2(C1C(C3(C(C=CC4C3C(C2=O)(OC4(C)C)C)OC(=O)C)COC(=O)C(C)C)OC(=O)C5=CC=CC=C5)OC(=O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy