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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP007761

[(1S,19R,20R,21S,22R)-6,7,8,11,12,13,20,22-octahydroxy-3,16-dioxo-2,17,23-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-21-yl] 3,4,5-trihydroxybenzoate

Formula: C27H22O18  |  Mol. Weight: 634.50 g/mol

IUPAC: [(1S,19R,20R,21S,22R)-6,7,8,11,12,13,20,22-octahydroxy-3,16-dioxo-2,17,23-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-21-yl] 3,4,5-trihydroxybenzoate

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Overview

Molecular Formula C27H22O18
Molecular Weight 634.50 g/mol
Canonical SMILES C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3C4=C(C(=C(C=C4C(=O)O1)O)O)O)O)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy