Glucoraphanin

Datasheet MSDS
Catalog Number
ANC06317
Product Name
Glucoraphanin
Structure
Glucoraphanin
CAS Number
21414-41-5
IUPAC Name
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-5-methylsulfinyl-N-sulfooxypentanimidothioate
Synonyms
Glucorafanin; Sulforaphaneglucosinolate; 4-methylsulfinylbutylglucosinolate
Molecular Formula
C12H23NO10S3
Molecular Weight
437.5
Appearance
Powder
Purity
98%
SMILES
CS(=O)CCCC/C(=N\OS(=O)(=O)O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C12H23NO10S3/c1-25(18)5-3-2-4-8(13-23-26(19,20)21)24-12-11(17)10(16)9(15)7(6-14)22-12/h7,9-12,14-17H,2-6H2,1H3,(H,19,20,21)/b13-8+/t7-,9-,10+,11-,12+,25?/m1/s1
InChI Key
GMMLNKINDDUDCF-RFOBZYEESA-N
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