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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP005505

(1S,2S,5R,6R,10S,11R,14R,15R,18R,19S,20R)-10-[[(2R,3R,4S,5S,6R)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-18-hydroxy-6,10,14,15,20-pentamethyl-22-oxo-21-oxahexacyclo[17.3.2.01,18.02,15.05,14.06,11]tetracosane-20-carboxylic acid

Formula: C41H64O15  |  Mol. Weight: 796.90 g/mol

IUPAC: (1S,2S,5R,6R,10S,11R,14R,15R,18R,19S,20R)-10-[[(2R,3R,4S,5S,6R)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-18-hydroxy-6,10,14,15,20-pentamethyl-22-oxo-21-oxahexacyclo[17.3.2.01,18.02,15.05,14.06,11]tetracosane-20-carboxylic acid

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Overview

Molecular Formula C41H64O15
Molecular Weight 796.90 g/mol
Canonical SMILES CC1(CCCC2(C1CCC3(C2CCC4C3(CCC5(C46CCC5C(OC6=O)(C)C(=O)O)O)C)C)C)COC7C(C(C(C(O7)CO)O)O)OC8C(C(C(O8)CO)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy