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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004494

3-[(1S,3R,5S,7R,9S,10S,12R,14S,15R,18R,19R,21R,22S,23R)-9,10,21,22-tetrahydroxy-7,18-dimethyl-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosan-19-yl]-2H-furan-5-one

Formula: C28H40O9  |  Mol. Weight: 520.60 g/mol

IUPAC: 3-[(1S,3R,5S,7R,9S,10S,12R,14S,15R,18R,19R,21R,22S,23R)-9,10,21,22-tetrahydroxy-7,18-dimethyl-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosan-19-yl]-2H-furan-5-one

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Overview

Molecular Formula C28H40O9
Molecular Weight 520.60 g/mol
Canonical SMILES CC1CC(C2(C(O1)OC3CC4CCC5C(C4CC3O2)CCC6(C5(C(CC6C7=CC(=O)OC7)O)O)C)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy