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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009866

(1R,4S,5R,8S,9R,10R,11S,12S,13S,16S)-9,12-dihydroxy-4,11,15-trimethyl-13-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,7-dioxapentacyclo[8.8.0.01,5.04,8.011,16]octadec-14-ene-6,18-dione

Formula: C25H34O12  |  Mol. Weight: 526.50 g/mol

IUPAC: (1R,4S,5R,8S,9R,10R,11S,12S,13S,16S)-9,12-dihydroxy-4,11,15-trimethyl-13-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,7-dioxapentacyclo[8.8.0.01,5.04,8.011,16]octadec-14-ene-6,18-dione

Overview

Molecular Formula C25H34O12
Molecular Weight 526.50 g/mol
Canonical SMILES CC1=CC(C(C2(C1CC(=O)C34C2C(C5C(C3C(=O)O5)(OC4)C)O)C)O)OC6C(C(C(C(O6)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy