Produkty 53823-08-8

CAS 53823-08-8 to numer rejestracyjny substancji Cascaroside A. Oferty producentów: Chemat Brand. Dostępne opakowania: on request.

Cascaroside A
Chemat Brand
  • opakowanie: on request
  • Warianty: 1
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Wzór strukturalny: {0} (CAS {1})

(10S)-1-hydroxy-3-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10H-anthracen-9-one (CAS 53823-08-8) to związek chemiczny o wzorze sumarycznym C27H32O14 i masie molowej 580.5 g/mol. Nazwa systematyczna IUPAC: (10S)-1-hydroxy-3-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10H-anthracen-9-one. InChIKey: MNAYRSRTNMVAPR-ZHVWOXMGSA-N.

Dane identyfikacyjne
Wzór sumarycznyC27H32O14
Masa molowa580.5 g/mol
Nazwa IUPAC(10S)-1-hydroxy-3-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10H-anthracen-9-one
InChIKeyMNAYRSRTNMVAPR-ZHVWOXMGSA-N
SMILESC1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C([C@H]2[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C=C(C=C4O)CO

Dane obliczone przez PubChem (NCBI)

Synonimy: Cascaroside A, CASCAROSIDE A (CONSTITUENT OF CASCARA SAGRADA), CASCAROSIDEA, 8-O-(beta-D-Glucopyranosyl)barbaloins, CASCAROSIDE A (CONSTITUENT OF CASCARA SAGRADA) [DSC]
Powiązane formy tego związku
(10R)-1-hydroxy-3-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10H-anthracen-9-one C27H32O14
Izomery (ten sam wzór sumaryczny)
(2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one C27H32O14
5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one C27H32O14
(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one C27H32O14