Products 91095-79-3

CAS 91095-79-3 is the registry number for (2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,3-diyl (2E,2'E)-bis(3-(4-hydroxy-3,5-dimethoxyphenyl)acrylate), 95%. Offered by: Chemat. Available pack sizes: 5mg, 10mg, 25mg, 50mg.

(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,3-diyl (2E,2'E)-bis(3-(4-hydroxy-3,5-dimethoxyphenyl)acrylate), 95%
Chemat
  • size: 5mg, 10mg, 25mg, 50mg
  • Variants: 4
from 2301.20
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Structural formula: {0} (CAS {1})

1,2-di-O-sinapoyl-beta-D-glucose is an O-acyl carbohydrate that is beta-D-glucose carrying sinapoyl groups at the 1- and 2-positions. It is functionally related to a trans-sinapic acid and a beta-D-glucose.

Source: ChEBI

Identity
Molecular formulaC28H32O14
Molecular weight592.5 g/mol
IUPAC name[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
InChIKeyKQDOTXAUJBODDM-STUNQXDBSA-N
SMILESCOC1=CC(=CC(=C1O)OC)/C=C/C(=O)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC(=O)/C=C/C3=CC(=C(C(=C3)OC)O)OC)CO)O)O

Computed by PubChem (NCBI)

Synonyms: 1,2-di-O-sinapoyl-beta-D-glucose, 1,2-Bis-O-sinapoyl-beta-D-glucoside, 1,2-di-O-sinapoyl beta-D-glucose, sinapoyl 2-O-sinapoyl-beta-D-glucoside, 1,2-di-O-sinapoyl-beta-d-glucopyranose, orb2893239, 1,2-Bis-O-sinapoyl-beta-D-glucose, 1,2-bis-O-sinapoyl beta-D-glucoside
Isomers (same molecular formula)
5-hydroxy-2-(4-methoxyphenyl)-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]oxychromen-4-one C28H32O14
7-methoxy-4-(4-methoxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-2-one C28H32O14
1-hydroxy-6-methoxy-3-methyl-8-[(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]oxyanthracene-9,10-dione C28H32O14
6-[(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]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one C28H32O14
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-methoxyphenyl)chromen-4-one C28H32O14
7-methoxy-2-(4-methoxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one C28H32O14
6-[(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]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one C28H32O14
8-[(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]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one C28H32O14