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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009544

(1S,3R,7R,9R,10S,13S,15S,17R,18S,21S,22R,23R,25S,29R)-13,22,23-trihydroxy-9-(hydroxymethyl)-9,18,23,25-tetramethyl-4,8,16,20,28-pentaoxaoctacyclo[13.12.1.115,22.01,13.03,7.03,10.017,21.025,29]nonacosane-5,14,19,24-tetrone

Formula: C29H36O13  |  Mol. Weight: 592.60 g/mol

IUPAC: (1S,3R,7R,9R,10S,13S,15S,17R,18S,21S,22R,23R,25S,29R)-13,22,23-trihydroxy-9-(hydroxymethyl)-9,18,23,25-tetramethyl-4,8,16,20,28-pentaoxaoctacyclo[13.12.1.115,22.01,13.03,7.03,10.017,21.025,29]nonacosane-5,14,19,24-tetrone

Overview

Molecular Formula C29H36O13
Molecular Weight 592.60 g/mol
Canonical SMILES CC1C2C(C3(C4C(CCC56CC78C(CCC5(C(=O)C4(O2)O6)O)C(OC7CC(=O)O8)(C)CO)(C(=O)C3(C)O)C)O)OC1=O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy