Chemical Compound

2-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]ethyl-trimethylazanium;[[2-(4-hydroxyphenyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylethylidene]amino] sulfate

CAS Registry Number 20196-67-2
2-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]ethyl-trimethylazanium;[[2-(4-hydroxyphenyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylethylidene]amino] sulfate 结构式
Primary record

2-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]ethyl-trimethylazanium;[[2-(4-hydroxyphenyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylethylidene]amino] sulfate

库存
4,499 克
纯度
98.8 %
CAS
20196-67-2

化合物标识与属性

CAS
20196-67-2
PubChem CID
76956748
SMILES
C[N+](C)(C)CCOC(=O)/C=C/C1=CC(=C(C(=C1)OC)O)OC.C1=CC(=CC=C1CC(=NOS(=O)(=O)[O-])S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
Canonical SMILES
COc1cc(/C=C/C(=O)OCC[N+](C)(C)C)cc(OC)c1O.O=S(=O)([O-])ON=C(Cc1ccc(O)cc1)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

名称与同义词

  • Sinalbin
  • Sinalbine
  • Sinapine glucosinalbate
  • SINALBIN [MI]
  • RefChem:183140
  • Z0BYE1900W
  • UNII-Z0BYE1900W
  • DTXSID501339954
  • DTXCID301769440
  • EINECS 243-582-3
  • 20196-67-2
  • (2-(3-(4-Hydroxy-3,5-dimethoxyphenyl)acryloyloxy)ethyl)trimethylammonium, saltwith 1-thio-beta-D-glucopyranose 1-(4-hydroxy-N-(sulphooxy)phenylacetimidate) (1:1)
  • (3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl) 2-(4-hydroxyphenyl)-N-sulfooxyethanimidothioate
  • .BETA.-D-GLUCOPYRANOSE, 1-THIO-, 1-(4-HYDROXY-N-(SULFOOXY)BENZENEETHANIMIDATE), ION(1-), 2-((3-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-1-OXO-2-PROPENYL)OXY)-N,N,N-TRIMETHYLETHANAMINIUM
  • [2-[3-(4-Hydroxy-3,5-Dimethoxyphenyl)acryloyloxy]ethyl]trimethylammonium,saltwith 1-thio-beta-d-glucopyranose 1-[4-hydroxy-N-(sulphooxy)phenylacetimidate](1:1)
  • 2-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]ethyl-trimethylazanium;[[2-(4-hydroxyphenyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylethylidene]amino] sulfate
  • 243-582-3
  • beta-D-Glucopyranose, 1-thio-, 1-[4-hydroxy-N-(sulfooxy)benzeneethanimidate], ion(1-), 2-[[3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]oxy]-N,N,N-trimethylethanaminium
  • CHOLINE, SALT WITH 1-THIO-.BETA.-D-GLUCOPYRANOSE 1-(2-(P-HYDROXYPHENYL)ACETOHYDROXIMATE) NO-(HYDROGEN SULFATE) (1:1), MONO(4-HYDROXY-3,5-DIMETHOXYCINNAMATE) (ESTER)
  • ETHANAMINIUM, 2-((3-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-1-OXO-2-PROPENYL)OXY)-N,N,N-TRIMETHYL-, SALT WITH 1-THIO-.BETA.-D-GLUCOPYRANOSE 1-(4-HYDROXY-N-(SULFOOXY)BENZENEETHANIMIDATE) (1:1)
  • GLUCOPYRANOSE, 1-THIO-, 1-(2-(P-HYDROXYPHENYL)ACETOHYDROXIMATE), NO-(HYDROGEN SULFATE) ION(1-), CHOLINE, MONO(4-HYDROXY-3,5-DIMETHOXYCINNAMATE) ESTER, .BETA.-D-