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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038552

[(1S,6S,7R)-6,7-bis(ethoxycarbonyloxy)-7-hydroxy-1-methyl-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4a,5,6,7a-tetrahydrocyclopenta[c]pyran-1-yl] 3-methylbutanoate

Formula: C27H42O16  |  Mol. Weight: 622.60 g/mol

IUPAC: [(1S,6S,7R)-6,7-bis(ethoxycarbonyloxy)-7-hydroxy-1-methyl-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4a,5,6,7a-tetrahydrocyclopenta[c]pyran-1-yl] 3-methylbutanoate

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Overview

Molecular Formula C27H42O16
Molecular Weight 622.60 g/mol
Canonical SMILES CCOC(=O)OC1CC2C(C1(O)OC(=O)OCC)C(OC=C2COC3C(C(C(C(O3)CO)O)O)O)(C)OC(=O)CC(C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy