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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP034694

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

Formula: C21H36O8  |  Mol. Weight: 416.50 g/mol

IUPAC: (2R,3R,4S,5S,6R)-2-[[(1R,2S,4S,4aS,5S,8aR)-4,5-dihydroxy-4a,8-dimethyl-2-propan-2-yl-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 C21H36O8
Molecular Weight 416.50 g/mol
Canonical SMILES CC1=CCC(C2(C1C(C(CC2O)C(C)C)OC3C(C(C(C(O3)CO)O)O)O)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy