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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003754

methyl 2-[(1R,2R,6R,7R,10S,12R,14R,15S,16S,17R,18S,19R,20S)-19-acetyloxy-12-ethyl-6-(furan-3-yl)-20-hydroxy-7,15,17-trimethyl-18-[(E)-2-methylbut-2-enoxy]-4-oxo-5,11,13,21-tetraoxaheptacyclo[10.8.1.114,17.01,10.02,7.010,15.014,19]docosan-16-yl]acetate

Formula: C37H48O12  |  Mol. Weight: 684.80 g/mol

IUPAC: methyl 2-[(1R,2R,6R,7R,10S,12R,14R,15S,16S,17R,18S,19R,20S)-19-acetyloxy-12-ethyl-6-(furan-3-yl)-20-hydroxy-7,15,17-trimethyl-18-[(E)-2-methylbut-2-enoxy]-4-oxo-5,11,13,21-tetraoxaheptacyclo[10.8.1.114,17.01,10.02,7.010,15.014,19]docosan-16-yl]acetate

Overview

Molecular Formula C37H48O12
Molecular Weight 684.80 g/mol
Canonical SMILES CCC12OC34CCC5(C(C3(O1)C(C6(C(C7(CC6(C4(C7CC(=O)OC)C)O2)C)OCC(=CC)C)OC(=O)C)O)CC(=O)OC5C8=COC=C8)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy