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Acetonitrile,[(2S,3R,4S,6R)-2-hydroxy-6-[[2-O-[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-b-D-glucopyranosyl]oxy]-3,4-dimethoxycyclohexylidene]-,(2Z)- (67411-22-7)

Identification
Name:Acetonitrile,[(2S,3R,4S,6R)-2-hydroxy-6-[[2-O-[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-b-D-glucopyranosyl]oxy]-3,4-dimethoxycyclohexylidene]-,(2Z)-
Synonyms:2-Propenoicacid, 3-(4-hydroxy-3-methoxyphenyl)-, 2'-ester with [6-(b-D-glucopyranosyloxy)-2-hydroxy-3,4-dimethoxycyclohexylidene]acetonitrile,(1Z,2a,3b,4b,6b)-; Acetonitrile,[(2S,3R,4S,6R)-2-hydroxy-6-[[2-O-[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-b-D-glucopyranosyl]oxy]-3,4-dimethoxycyclohexylidene]-,(2Z)- (9CI); Acetonitrile,[2-hydroxy-6-[[2-O-[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-b-D-glucopyranosyl]oxy]-3,4-dimethoxycyclohexylidene]-,(1Z,2a,3b,4b,6b)-; Simmondsin 2'-ferulate
CAS:67411-22-7
Molecular Formula: C26H33 N O12
Molecular Weight: 551.5397
InChI: InChI=1/C26H33NO12/c1-34-17-10-13(4-6-15(17)29)5-7-20(30)39-25-23(33)22(32)19(12-28)38-26(25)37-16-11-18(35-2)24(36-3)21(31)14(16)8-9-27/h4-8,10,16,18-19,21-26,28-29,31-33H,11-12H2,1-3H3/b7-5-,14-8+/t16-,18+,19-,21+,22-,23+,24+,25-,26-/m1/s1
Molecular Structure: (C26H33NO12) 2-Propenoicacid, 3-(4-hydroxy-3-methoxyphenyl)-, 2'-ester with [6-(b-D-glucopyranosyloxy)-2-hydroxy-...
Properties
Flash Point: 432.5°C
Boiling Point: 791.5°Cat760mmHg
Density:1.44g/cm3
Refractive index:1.61
Flash Point: 432.5°C
Safety Data
 

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