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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP010152

methyl (1S,4aR,7S,7aS)-7-acetyloxy-4a-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

Formula: C19H28O12  |  Mol. Weight: 448.40 g/mol

IUPAC: methyl (1S,4aR,7S,7aS)-7-acetyloxy-4a-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

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Overview

Molecular Formula C19H28O12
Molecular Weight 448.40 g/mol
Canonical SMILES CC(=O)OC1(CCC2(C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy