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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009886

[(1R,2R,4S,5S,7S,8R,9R,10R,12S,16S,21R)-5-acetyloxy-7-(furan-3-yl)-4-hydroxy-1,8,16-trimethyl-3-methylidene-14,19-dioxo-11,15,18-trioxapentacyclo[10.9.0.02,10.04,8.016,21]henicosan-9-yl] (2R,3R)-2-hydroxy-3-methylpentanoate

Formula: C34H44O12  |  Mol. Weight: 644.70 g/mol

IUPAC: [(1R,2R,4S,5S,7S,8R,9R,10R,12S,16S,21R)-5-acetyloxy-7-(furan-3-yl)-4-hydroxy-1,8,16-trimethyl-3-methylidene-14,19-dioxo-11,15,18-trioxapentacyclo[10.9.0.02,10.04,8.016,21]henicosan-9-yl] (2R,3R)-2-hydroxy-3-methylpentanoate

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Overview

Molecular Formula C34H44O12
Molecular Weight 644.70 g/mol
Canonical SMILES CCC(C)C(C(=O)OC1C2C(C(=C)C3(C1(C(CC3OC(=O)C)C4=COC=C4)C)O)C5(C6CC(=O)OCC6(OC(=O)CC5O2)C)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy