![3-(2-AMINOETHYLTHIO)-PROPYL-[BETA-D-MANNOPYRANOSYL-(1->2)]-BETA-D-MANNOPYRANOSYL-(1->2)-BETA-D-MANNOPYRANOSIDE](/api/spectrum/7wb1Dx5beeF/structure.png?h=300&w=458 "3-(2-AMINOETHYLTHIO)-PROPYL-[BETA-D-MANNOPYRANOSYL-(1->2)]-BETA-D-MANNOPYRANOSYL-(1->2)-BETA-D-MANNOPYRANOSIDE")
| SpectraBase Compound ID | ARPGPaV1a8A |
|---|---|
| InChI | InChI=1S/C23H43NO16S/c24-2-5-41-4-1-3-35-22-19(16(32)13(29)10(7-26)37-22)40-23-20(17(33)14(30)11(8-27)38-23)39-21-18(34)15(31)12(28)9(6-25)36-21/h9-23,25-34H,1-8,24H2/t9-,10+,11-,12-,13+,14-,15+,16-,17+,18+,19-,20+,21+,22+,23+/m1/s1 |
| InChIKey | IXWAHYVAVWGANE-KZQNUBNGSA-N |
| Mol Weight | 621.6 g/mol |
| Molecular Formula | C23H43NO16S |
| Exact Mass | 621.230255 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7wb1Dx5beeF |
|---|---|
| Name | 3-(2-AMINOETHYLTHIO)-PROPYL-[BETA-D-MANNOPYRANOSYL-(1->2)]-BETA-D-MANNOPYRANOSYL-(1->2)-BETA-D-MANNOPYRANOSIDE |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H43NO16S |
| InChI | InChI=1S/C23H43NO16S/c24-2-5-41-4-1-3-35-22-19(16(32)13(29)10(7-26)37-22)40-23-20(17(33)14(30)11(8-27)38-23)39-21-18(34)15(31)12(28)9(6-25)36-21/h9-23,25-34H,1-8,24H2/t9-,10+,11-,12-,13+,14-,15+,16-,17+,18+,19-,20+,21+,22+,23+/m1/s1 |
| InChIKey | IXWAHYVAVWGANE-KZQNUBNGSA-N |
| Literature Reference Author | M.NITZ,D.R.BUNDLE |
| Literature Reference Citation | J.ORG.CHEM.,66,8411(2001) |
| Literature Reference DOI | 10.1021/jo010570x |
| Molecular Weight | 621.652 g/mol |
| Solvent | D2O |
| Source File Reference | UWLU29150 |