Produkty 76947-60-9

CAS 76947-60-9 to numer rejestracyjny substancji Onitin 2'-O-glucoside. Oferty producentów: Biosynth, MedChemExpress. Dostępne opakowania: 1mg, Get quote.

Onitin 2'-O-glucoside
Biosynth, MedChemExpress
  • opakowanie: 1mg, Get quote
  • Warianty: 2
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Wzór strukturalny: {0} (CAS {1})

4-hydroxy-2,2,5,7-tetramethyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3H-inden-1-one (CAS 76947-60-9) to związek chemiczny o wzorze sumarycznym C21H30O8 i masie molowej 410.5 g/mol. Nazwa systematyczna IUPAC: 4-hydroxy-2,2,5,7-tetramethyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3H-inden-1-one. InChIKey: IXDYXCFZRYXQBB-JQAJVKEVSA-N.

Dane identyfikacyjne
Wzór sumarycznyC21H30O8
Masa molowa410.5 g/mol
Nazwa IUPAC4-hydroxy-2,2,5,7-tetramethyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3H-inden-1-one
InChIKeyIXDYXCFZRYXQBB-JQAJVKEVSA-N
SMILESCC1=C(C(=C(C2=C1C(=O)C(C2)(C)C)O)C)CCO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

Dane obliczone przez PubChem (NCBI)

Synonimy: Onitin 2'-O-glucoside, Onitin2'-O-glucoside, orb1681386, Onitin-15-O-beta-D-glucopyranoside
Izomery (ten sam wzór sumaryczny)
(3R)-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3H-inden-1-one C21H30O8
(3S)-3-hydroxy-2,2,5,7-tetramethyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3H-inden-1-one C21H30O8
(12-acetyloxy-1-hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl) 2-methylpropanoate C21H30O8
(2S)-6-(2-hydroxyethyl)-2,5,7-trimethyl-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3H-inden-1-one C21H30O8
(E,2S,9E)-2,9-dihydroxy-2-[(1R,2S)-1-hydroxy-2-methylbutyl]-9-[(6R)-6-methyl-2,4-dioxooxan-3-ylidene]-6-methylidenenon-3-enoic acid C21H30O8
(2S)-2-(hydroxymethyl)-2,5,7-trimethyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3H-inden-1-one C21H30O8