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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP026936

(1R,6R,11R,12R,15R,16R)-15-[(2R,5S)-6-hydroxy-6-methyl-5-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyheptan-2-yl]-7,7,16-trimethyl-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[9.7.0.03,8.012,16]octadec-3(8)-ene-12-carboxylic acid

Formula: C41H68O14  |  Mol. Weight: 785.00 g/mol

IUPAC: (1R,6R,11R,12R,15R,16R)-15-[(2R,5S)-6-hydroxy-6-methyl-5-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyheptan-2-yl]-7,7,16-trimethyl-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[9.7.0.03,8.012,16]octadec-3(8)-ene-12-carboxylic acid

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Overview

Molecular Formula C41H68O14
Molecular Weight 785.00 g/mol
Canonical SMILES CC(CCC(C(C)(C)O)OC1C(C(C(CO1)O)O)O)C2CCC3(C2(CCC4C3CCC5=C(C4)CCC(C5(C)C)OC6C(C(C(C(O6)CO)O)O)O)C)C(=O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy