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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004449

(16Z)-16-ethylidene-6-hydroxy-5,9-dimethyl-17-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,12,18-trioxatricyclo[13.4.0.06,10]nonadec-1(19)-ene-2,13-dione

Formula: C26H38O12  |  Mol. Weight: 542.60 g/mol

IUPAC: (16Z)-16-ethylidene-6-hydroxy-5,9-dimethyl-17-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,12,18-trioxatricyclo[13.4.0.06,10]nonadec-1(19)-ene-2,13-dione

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Overview

Molecular Formula C26H38O12
Molecular Weight 542.60 g/mol
Canonical SMILES CC=C1C2CC(=O)OCC3C(CCC3(C(COC(=O)C2=COC1OC4C(C(C(C(O4)CO)O)O)O)C)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy