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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP026059

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

Formula: C37H46O12  |  Mol. Weight: 682.80 g/mol

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

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Overview

Molecular Formula C37H46O12
Molecular Weight 682.80 g/mol
Canonical SMILES CC1CC2(C(C1OC(=O)C(C)C)C(C3(C(C=CC4C3C(C2=O)(OC4(C)C)C)OC(=O)C)COC(=O)C)OC(=O)C5=CC=CC=C5)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy