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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP028912

[(1S,4aS,7S,7aS)-4-[[(2R,3R,4S,5S,6R)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-7-(hydroxymethyl)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl] 3-methylbutanoate

Formula: C23H36O11  |  Mol. Weight: 488.50 g/mol

IUPAC: [(1S,4aS,7S,7aS)-4-[[(2R,3R,4S,5S,6R)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-7-(hydroxymethyl)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl] 3-methylbutanoate

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Overview

Molecular Formula C23H36O11
Molecular Weight 488.50 g/mol
Canonical SMILES CC(C)CC(=O)OC1C2C(CCC2C(=CO1)COC3C(C(C(C(O3)CO)O)O)OC(=O)C)CO

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy