| SpectraBase Compound ID | G8t41HbeBCw |
|---|---|
| InChI | InChI=1S/C29H53NO21S/c30-2-5-52-4-1-3-44-27-23(19(40)15(36)11(7-32)46-27)50-29-25(21(42)17(38)13(9-34)48-29)51-28-24(20(41)16(37)12(8-33)47-28)49-26-22(43)18(39)14(35)10(6-31)45-26/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+/m1/s1 |
| InChIKey | AIFPCBHCHOIRPR-VBAHZGKBSA-N |
| Mol Weight | 783.8 g/mol |
| Molecular Formula | C29H53NO21S |
| Exact Mass | 783.283079 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HrDDSK2Y2XL |
|---|---|
| Name | 3-(2-AMINOETHYLTHIO)-PROPYL-(BETA-D-MANNOPYRANOSYL)-(1->2)-(BETA-D-MANNOPYRANOSYL)-(1->2)-(BETA-D-MANNOPYRANOSYL)-(1->2)-BETA-D-MANNOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H53NO21S |
| InChI | InChI=1S/C29H53NO21S/c30-2-5-52-4-1-3-44-27-23(19(40)15(36)11(7-32)46-27)50-29-25(21(42)17(38)13(9-34)48-29)51-28-24(20(41)16(37)12(8-33)47-28)49-26-22(43)18(39)14(35)10(6-31)45-26/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+/m1/s1 |
| InChIKey | AIFPCBHCHOIRPR-VBAHZGKBSA-N |
| Literature Reference Author | M.NITZ,B.W.PURSE,D.R.BUNDLE |
| Literature Reference Citation | ORG.LETTERS,2,2939(2000) |
| Literature Reference DOI | 10.1021/ol0061743 |
| Molecular Weight | 783.794 g/mol |
| Solvent | D2O |
| Source File Reference | UWVN30499 |