Produkty 49792-23-6

CAS 49792-23-6 to numer rejestracyjny substancji Medicagenic acid 3-O-glucoside. Oferty producentów: Biosynth. Dostępne opakowania: 0,5mg.

Medicagenic acid 3-O-glucoside
Biosynth
  • opakowanie: 0,5mg
  • Warianty: 1
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Wzór strukturalny: {0} (CAS {1})

(2S,3R,6aR,6bS,8aS,12aR,14aR,14bR)-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid (CAS 49792-23-6) to związek chemiczny o wzorze sumarycznym C36H56O11 i masie molowej 664.8 g/mol. Nazwa systematyczna IUPAC: (2S,3R,6aR,6bS,8aS,12aR,14aR,14bR)-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid. InChIKey: XCHARIIIZLLEBL-GHKSOYFMSA-N.

Dane identyfikacyjne
Wzór sumarycznyC36H56O11
Masa molowa664.8 g/mol
Nazwa IUPAC(2S,3R,6aR,6bS,8aS,12aR,14aR,14bR)-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid
InChIKeyXCHARIIIZLLEBL-GHKSOYFMSA-N
SMILESC[C@@]12CCC3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@@H]4CC(CC5)(C)C)C(=O)O)C)(C[C@@H]([C@@H](C3(C)C(=O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)C

Dane obliczone przez PubChem (NCBI)

Synonimy: Compound G2, Medicagenic acid-3-O-glucopyranoside, Medicagenic acid 3-O-beta-D-glucopyranoside, Medicagenic acid 3-O-glucoside, 3-(Hexopyranosyloxy)-2-hydroxyolean-12-ene-23,28-dioic acid
Izomery (ten sam wzór sumaryczny)
(3S,4R,4aR,6aR,6bS,8aR,12S,12aS,14aR,14bR)-3,12-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid C36H56O11
(3S,4R,4aR,6aR,6bS,8aS,11R,12R,12aS,14aR,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid C36H56O11