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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004077

[(1S,2R,4R,5R,6S,8R,9R,10S,11R,13R,14R,15S,18R,19R,20S)-4,19,20-triacetyloxy-6-(furan-3-yl)-8,18-dihydroxy-5,10,14-trimethyl-3-oxo-16,21-dioxahexacyclo[12.3.3.19,11.01,13.02,10.05,9]henicosan-15-yl] 2-methylbutanoate

Formula: C37H48O14  |  Mol. Weight: 716.80 g/mol

IUPAC: [(1S,2R,4R,5R,6S,8R,9R,10S,11R,13R,14R,15S,18R,19R,20S)-4,19,20-triacetyloxy-6-(furan-3-yl)-8,18-dihydroxy-5,10,14-trimethyl-3-oxo-16,21-dioxahexacyclo[12.3.3.19,11.01,13.02,10.05,9]henicosan-15-yl] 2-methylbutanoate

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Overview

Molecular Formula C37H48O14
Molecular Weight 716.80 g/mol
Canonical SMILES CCC(C)C(=O)OC1C2(C3CC4C5(C(C3(CO1)C(C(C2OC(=O)C)OC(=O)C)O)C(=O)C(C6(C5(O4)C(CC6C7=COC=C7)O)C)OC(=O)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy