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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP032164

[(3aR,4S,9aS,9bR)-6-methyl-3-methylidene-2,7-dioxo-9-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] 2-[(3aS,5R)-8-(hydroxymethyl)-3-methyl-1-oxo-4,5,6,7-tetrahydro-3aH-azulen-5-yl]prop-2-enoate

Formula: C36H42O13  |  Mol. Weight: 682.70 g/mol

IUPAC: [(3aR,4S,9aS,9bR)-6-methyl-3-methylidene-2,7-dioxo-9-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] 2-[(3aS,5R)-8-(hydroxymethyl)-3-methyl-1-oxo-4,5,6,7-tetrahydro-3aH-azulen-5-yl]prop-2-enoate

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Overview

Molecular Formula C36H42O13
Molecular Weight 682.70 g/mol
Canonical SMILES CC1=C2C(C3C(C(C1)OC(=O)C(=C)C4CCC(=C5C(C4)C(=CC5=O)C)CO)C(=C)C(=O)O3)C(=CC2=O)COC6C(C(C(C(O6)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy