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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038537

(1S,3R,5S,7R,9R,10S,12R,14R,18R,19R,22S)-10,22-dihydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-9-[(2R,3S,5S)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosane-14-carbaldehyde

Formula: C35H50O15  |  Mol. Weight: 710.80 g/mol

IUPAC: (1S,3R,5S,7R,9R,10S,12R,14R,18R,19R,22S)-10,22-dihydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-9-[(2R,3S,5S)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosane-14-carbaldehyde

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Overview

Molecular Formula C35H50O15
Molecular Weight 710.80 g/mol
Canonical SMILES CC1CC(C2(C(O1)OC3CC4CCC5C(C4(CC3O2)C=O)CCC6(C5(CCC6C7=CC(=O)OC7)O)C)O)OC8(C(C(C(C(O8)CO)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy