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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP039023

[(1S,4aS,5R,7S,7aS)-5-hydroxy-4,7-dimethyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl] acetate

Formula: C18H28O10  |  Mol. Weight: 404.40 g/mol

IUPAC: [(1S,4aS,5R,7S,7aS)-5-hydroxy-4,7-dimethyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl] acetate

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Overview

Molecular Formula C18H28O10
Molecular Weight 404.40 g/mol
Canonical SMILES CC1=COC(C2C1C(CC2(C)OC(=O)C)O)OC3C(C(C(C(O3)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy