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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006949

(2R,3R,4S,5S,6R)-2-[[(1S,2R,4aS,5S,8aR)-5-hydroxy-4a-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-8-methyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula: C21H36O9  |  Mol. Weight: 432.50 g/mol

IUPAC: (2R,3R,4S,5S,6R)-2-[[(1S,2R,4aS,5S,8aR)-5-hydroxy-4a-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-8-methyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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Overview

Molecular Formula C21H36O9
Molecular Weight 432.50 g/mol
Canonical SMILES CC1=CCC(C2(C1C(C(CC2)C(C)(C)O)OC3C(C(C(C(O3)CO)O)O)O)CO)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy