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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004199

[(1R,2S,3Z,6S,7R,8R,9R,10R,12R,14R,15R,16S,18S,19S,20R)-18,20-diacetyloxy-6-(furan-3-yl)-19-hydroxy-16-(1-hydroxy-2-methoxy-2-oxoethyl)-3-(1-hydroxy-2-methylpropylidene)-7,12,15,17-tetramethyl-9-(2-methylpropanoyloxy)-4-oxo-5,11,13,21-tetraoxaheptacyclo[10.8.1.114,17.01,10.02,7.010,15.014,19]docosan-8-yl] 2-methylpropanoate

Formula: C45H58O19  |  Mol. Weight: 902.90 g/mol

IUPAC: [(1R,2S,3Z,6S,7R,8R,9R,10R,12R,14R,15R,16S,18S,19S,20R)-18,20-diacetyloxy-6-(furan-3-yl)-19-hydroxy-16-(1-hydroxy-2-methoxy-2-oxoethyl)-3-(1-hydroxy-2-methylpropylidene)-7,12,15,17-tetramethyl-9-(2-methylpropanoyloxy)-4-oxo-5,11,13,21-tetraoxaheptacyclo[10.8.1.114,17.01,10.02,7.010,15.014,19]docosan-8-yl] 2-methylpropanoate

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Overview

Molecular Formula C45H58O19
Molecular Weight 902.90 g/mol
Canonical SMILES CC(C)C(=C1C2C(C(C(C34C25C(C6(C(C7(CC6(C3(C7C(C(=O)OC)O)C)OC(O4)(O5)C)C)OC(=O)C)O)OC(=O)C)OC(=O)C(C)C)OC(=O)C(C)C)(C(OC1=O)C8=COC=C8)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy