| SpectraBase Spectrum ID |
IRVxzrJXS5J |
| Name |
2H-Pyran-3,4-diol, tetrahydro-5-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-2-[2-methyl-3-[5-[4-(methylthio)phenyl]-2-oxazolyl]-2-propenyl]-, [2S-[2.alpha.(E),3.beta.,4.beta.,5.alpha.[2R*,3R*(1R*,2R*)]]]- |
| Alternate Name(s) |
(2R,3S,4S,5R)-5-({3-[(2S)-3-hydroxybutan-2-yl]oxiran-2-yl}methyl)-2-[(2E)-2-methyl-3-{5-[4-(methylsulfanyl)phenyl]-1,3-oxazol-2-yl}prop-2-en-1-yl]oxane-3,4-diol
5-p-methylthiophenyl-2-normonyloxazole |
| CAS Registry Number |
89127-47-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H35NO6S |
| InChI |
InChI=1S/C26H35NO6S/c1-14(10-23-27-12-22(32-23)17-5-7-19(34-4)8-6-17)9-20-25(30)24(29)18(13-31-20)11-21-26(33-21)15(2)16(3)28/h5-8,10,12,15-16,18,20-21,24-26,28-30H,9,11,13H2,1-4H3/b14-10+/t15-,16?,18+,20+,21?,24-,25+,26?/m0/s1 |
| InChIKey |
WRBSDHHQVOXOLP-DSWDJRMLSA-N |
| Molecular Weight |
489.627 g/mol |
| SMILES |
OC([C@@](C1OC1C[C@@]1(CO[C@@]([C@]([C@]1(O)[H])(O)[H])(C\C(=C\c1ncc(o1)-c1ccc(cc1)SC)C)[H])[H])(C)[H])C |
| SPLASH |
splash10-0002-0090200000-76c126c10ef2259012b8 |
| Source of Spectrum |
KC-1989-2062-1 |
| Wiley ID |
1397065 |
![2H-Pyran-3,4-diol, tetrahydro-5-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-2-[2-methyl-3-[5-[4-(methylthio)phenyl]-2-oxazolyl]-2-propenyl]-, [2S-[2.alpha.(E),3.beta.,4.beta.,5.alpha.[2R*,3R*(1R*,2R*)]]]-](/api/spectrum/IRVxzrJXS5J/structure.png?h=300&w=458 "2H-Pyran-3,4-diol, tetrahydro-5-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-2-[2-methyl-3-[5-[4-(methylthio)phenyl]-2-oxazolyl]-2-propenyl]-, [2S-[2.alpha.(E),3.beta.,4.beta.,5.alpha.[2R*,3R*(1R*,2R*)]]]-")
