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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP036355

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

Formula: C24H30O12  |  Mol. Weight: 510.50 g/mol

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

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Overview

Molecular Formula C24H30O12
Molecular Weight 510.50 g/mol
Canonical SMILES CC1C2C(C(C1OC(=O)C3=CC=CC=C3)O)C(=COC2OC4C(C(C(C(O4)CO)O)O)O)C(=O)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy