| SpectraBase Spectrum ID |
2rgML5ErCGs |
| Name |
2-Benzothiazolylthioacetyl O-(2:3,5:6-di-O-isopropylidene-a-D-mannofuranosyl) L-hydroxyproline methyl ester |
| Appearance |
Pale yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H34N2O9S2 |
| InChI |
InChI=1S/C27H34N2O9S2/c1-26(2)33-12-17(36-26)20-21-22(38-27(3,4)37-21)24(35-20)34-14-10-16(23(31)32-5)29(11-14)19(30)13-39-25-28-15-8-6-7-9-18(15)40-25/h6-9,14,16-17,20-22,24H,10-13H2,1-5H3/t14?,16-,17-,20+,21-,22-,24-/m0/s1 |
| InChIKey |
MRIZKQXBAJJGCS-KGTBWLORSA-N |
| Instrument Name |
Shimadzu GC-MSQP 1000EX |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3998/ark.5550190.0012.925 |
| Molecular Weight |
594.694 g/mol |
| SMILES |
C1N([C@@](CC1O[C@@]1([C@@]2([C@]([C@@]([C@@]3(COC(O3)(C)C)[H])(O1)[H])(OC(O2)(C)C)[H])[H])[H])(C(=O)OC)[H])C(=O)CSc1sc2c(n1)cccc2 |
| SPLASH |
splash10-0aor-0951000000-8166e114ff31ac043827 |
| Source of Spectrum |
ARK-2011-349-10b |
| Thin-Layer Chromatography |
Rf = 0.82 (Ethyl acetate/etroleum ether, 2:1) |
| Wiley ID |
1864507 |
