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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009696

(1S,5S,6E,7S,14R,15S,16S,17R)-6-ethylidene-16-(hydroxymethyl)-14,17-dimethyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,8,12-trioxatricyclo[13.2.1.05,10]octadec-9-ene-3,11-dione

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

IUPAC: (1S,5S,6E,7S,14R,15S,16S,17R)-6-ethylidene-16-(hydroxymethyl)-14,17-dimethyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,8,12-trioxatricyclo[13.2.1.05,10]octadec-9-ene-3,11-dione

Overview

Molecular Formula C26H38O12
Molecular Weight 542.60 g/mol
Canonical SMILES CC=C1C2CC(=O)OC3CC(C(COC(=O)C2=COC1OC4C(C(C(C(O4)CO)O)O)O)C)C(C3C)CO

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy