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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006937

(1S,4S,5R,8R,10S,13R,14R,17S,18R)-4,5,9,9,13,20,20-heptamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-23-one

Formula: C36H58O8  |  Mol. Weight: 618.80 g/mol

IUPAC: (1S,4S,5R,8R,10S,13R,14R,17S,18R)-4,5,9,9,13,20,20-heptamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-23-one

Overview

Molecular Formula C36H58O8
Molecular Weight 618.80 g/mol
Canonical SMILES CC1(CCC23CCC4(C5(CCC6C(C(CCC6(C5CCC4(C2C1)OC3=O)C)OC7C(C(C(C(O7)CO)O)O)O)(C)C)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy