| SpectraBase Compound ID | 1s5k5nLUgvh |
|---|---|
| InChI | InChI=1S/C29H34N4O10S/c1-15(2)12-22-21(13-33(32-22)20-10-8-7-9-11-20)27-30-31-29(43-27)44-28-26(41-19(6)37)25(40-18(5)36)24(39-17(4)35)23(42-28)14-38-16(3)34/h7-11,13,15,23-26,28H,12,14H2,1-6H3/t23-,24-,25+,26-,28+/m1/s1 |
| InChIKey | LKPMXGQUMCRWOZ-CBNWRBMVSA-N |
| Mol Weight | 630.7 g/mol |
| Molecular Formula | C29H34N4O10S |
| Exact Mass | 630.199564 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GwQ7WolasiD |
|---|---|
| Name | 5-(3-Iso-butyl-1-phenyl-1H-pyrazol-4-yl)-2-(2',3',4',6'-tetra-O-aceyl-b-D-glucopyranosylthio)-1,3,4-oxadiazole |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H34N4O10S |
| InChI | InChI=1S/C29H34N4O10S/c1-15(2)12-22-21(13-33(32-22)20-10-8-7-9-11-20)27-30-31-29(43-27)44-28-26(41-19(6)37)25(40-18(5)36)24(39-17(4)35)23(42-28)14-38-16(3)34/h7-11,13,15,23-26,28H,12,14H2,1-6H3/t23-,24-,25+,26-,28+/m1/s1 |
| InChIKey | LKPMXGQUMCRWOZ-CBNWRBMVSA-N |
| Molecular Weight | 630.669 g/mol |
| SMILES | c1(-c2oc(S[C@]3([C@@]([C@@](OC(=O)C)([C@@]([C@](O3)(COC(=O)C)[H])(OC(=O)C)[H])[H])(OC(=O)C)[H])[H])nn2)c(n[n](c1)-c1ccccc1)CC(C)C |
| SPLASH | splash10-0a7i-0090003000-1bbd5321a936503c0eb8 |
| Source of Spectrum | F2-46-234-14 |
| Synonyms | Acetic acid [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[5-[3-(2-methylpropyl)-1-phenyl-4-pyrazolyl]-1,3,4-oxadiazol-2-yl]thio]-2-oxanyl]methyl ester [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[5-[3-(2-methylpropyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]oxan-2-yl]methyl acetate [(2R,3R,4S,5R,6S)-3,4,5-triacetoxy-6-[[5-(3-isobutyl-1-phenyl-pyrazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]tetrahydropyran-2-yl]methyl acetate [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[5-[3-(2-methylpropyl)-1-phenyl-pyrazol-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]oxan-2-yl]methyl ethanoate |
| Wiley ID | 1689827 |