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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP016177

(1S,4aS,6S,7R,7aS)-1-[(2S,3R,4R,5S,6R)-5-acetyloxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid

Formula: C18H26O11  |  Mol. Weight: 418.40 g/mol

IUPAC: (1S,4aS,6S,7R,7aS)-1-[(2S,3R,4R,5S,6R)-5-acetyloxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid

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Overview

Molecular Formula C18H26O11
Molecular Weight 418.40 g/mol
Canonical SMILES CC1C(CC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)OC(=O)C)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy