![#32;3-(2-AMINOETHYLTHIO)-PROPYL-[1-THIO-BETA-D-MANNOPYRANOSYL-(1->2)]-[2-DEOXY-2-THIO-BETA-D-MANNOPYRANOSYL-(1->2)]-[BETA-D-MANNOPYRANOSYL-(1->2)]-BETA-D-MANNO](/api/spectrum/2D3ksA8SXYI/structure.png?h=300&w=458 "#32;3-(2-AMINOETHYLTHIO)-PROPYL-[1-THIO-BETA-D-MANNOPYRANOSYL-(1->2)]-[2-DEOXY-2-THIO-BETA-D-MANNOPYRANOSYL-(1->2)]-[BETA-D-MANNOPYRANOSYL-(1->2)]-BETA-D-MANNO")
| SpectraBase Compound ID | 5qDgvYpIovN |
|---|---|
| InChI | InChI=1S/C29H53NO20S2/c30-2-5-51-4-1-3-44-26-23(19(40)15(36)10(6-31)45-26)49-27-24(20(41)16(37)11(7-32)46-27)50-28-25(21(42)17(38)12(8-33)47-28)52-29-22(43)18(39)14(35)13(9-34)48-29/h10-29,31-43H,1-9,30H2/t10-,11+,12+,13+,14+,15-,16+,17+,18-,19+,20-,21-,22-,23+,24-,25-,26-,27-,28-,29-/m0/s1 |
| InChIKey | AVUTWZZLAQKZCY-QZEJSBCISA-N |
| Mol Weight | 799.8 g/mol |
| Molecular Formula | C29H53NO20S2 |
| Exact Mass | 799.260235 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2D3ksA8SXYI |
|---|---|
| Name | #32;3-(2-AMINOETHYLTHIO)-PROPYL-[1-THIO-BETA-D-MANNOPYRANOSYL-(1->2)]-[2-DEOXY-2-THIO-BETA-D-MANNOPYRANOSYL-(1->2)]-[BETA-D-MANNOPYRANOSYL-(1->2)]-BETA-D-MANNO |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H53NO20S2 |
| InChI | InChI=1S/C29H53NO20S2/c30-2-5-51-4-1-3-44-26-23(19(40)15(36)10(6-31)45-26)49-27-24(20(41)16(37)11(7-32)46-27)50-28-25(21(42)17(38)12(8-33)47-28)52-29-22(43)18(39)14(35)13(9-34)48-29/h10-29,31-43H,1-9,30H2/t10-,11+,12+,13+,14+,15-,16+,17+,18-,19+,20-,21-,22-,23+,24-,25-,26-,27-,28-,29-/m0/s1 |
| InChIKey | AVUTWZZLAQKZCY-QZEJSBCISA-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 | 799.855 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU29166 |