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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000727

(2R,3R,4S,5S,6R)-2-[[(1S,3R,6S,8R,11S,12S,14S,15R,16R)-14-hydroxy-15-[(1S)-1-[(2R,4S)-4-hydroxy-5,5-dimethyloxolan-2-yl]ethyl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula: C36H60O9  |  Mol. Weight: 636.90 g/mol

IUPAC: (2R,3R,4S,5S,6R)-2-[[(1S,3R,6S,8R,11S,12S,14S,15R,16R)-14-hydroxy-15-[(1S)-1-[(2R,4S)-4-hydroxy-5,5-dimethyloxolan-2-yl]ethyl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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Overview

Molecular Formula C36H60O9
Molecular Weight 636.90 g/mol
Canonical SMILES CC(C1CC(C(O1)(C)C)O)C2C(CC3(C2(CCC45C3CCC6C4(C5)CCC(C6(C)C)OC7C(C(C(C(O7)CO)O)O)O)C)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy