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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP039409

[(3aR,4R,9aR,9bS)-6-methyl-3-methylidene-2,7-dioxo-9-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] 2-(4-hydroxyphenyl)acetate

Formula: C29H32O12  |  Mol. Weight: 572.60 g/mol

IUPAC: [(3aR,4R,9aR,9bS)-6-methyl-3-methylidene-2,7-dioxo-9-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] 2-(4-hydroxyphenyl)acetate

Overview

Molecular Formula C29H32O12
Molecular Weight 572.60 g/mol
Canonical SMILES CC1=C2C(C3C(C(C1)OC(=O)CC4=CC=C(C=C4)O)C(=C)C(=O)O3)C(=CC2=O)COC5C(C(C(C(O5)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy