![METHYL-2,3,4-TRI-O-ACETYL-6-THIO-6-[2'-(METHYL-2-PHENYLACETATE)]-BETA-D-GALACTOPYRANOSYL-(1,4)-2,3,6-TRI-O-ACETYL-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/Js7AJ6HMAnR/structure.png?h=300&w=458 "METHYL-2,3,4-TRI-O-ACETYL-6-THIO-6-[2'-(METHYL-2-PHENYLACETATE)]-BETA-D-GALACTOPYRANOSYL-(1,4)-2,3,6-TRI-O-ACETYL-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | Lo7N4tg398u |
|---|---|
| InChI | InChI=1S/2C34H44O18S/c2*1-16(35)44-14-23-25(27(46-18(3)37)29(48-20(5)39)33(43-8)50-23)52-34-30(49-21(6)40)28(47-19(4)38)26(45-17(2)36)24(51-34)15-53-31(32(41)42-7)22-12-10-9-11-13-22/h2*9-13,23-31,33-34H,14-15H2,1-8H3/t23-,24-,25-,26+,27+,28+,29-,30-,31+,33-,34+;23-,24-,25-,26+,27+,28+,29-,30-,31-,33-,34+/m11/s1 |
| InChIKey | RQDNCWDZWSUTEW-KRTBRHGLSA-N |
| Mol Weight | 1545.5 g/mol |
| Molecular Formula | C68H88O36S2 |
| Exact Mass | 1544.449671 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Js7AJ6HMAnR |
|---|---|
| Name | METHYL-2,3,4-TRI-O-ACETYL-6-THIO-6-[2'-(METHYL-2-PHENYLACETATE)]-BETA-D-GALACTOPYRANOSYL-(1,4)-2,3,6-TRI-O-ACETYL-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 26 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C68H88O36S2 |
| InChI | InChI=1S/2C34H44O18S/c2*1-16(35)44-14-23-25(27(46-18(3)37)29(48-20(5)39)33(43-8)50-23)52-34-30(49-21(6)40)28(47-19(4)38)26(45-17(2)36)24(51-34)15-53-31(32(41)42-7)22-12-10-9-11-13-22/h2*9-13,23-31,33-34H,14-15H2,1-8H3/t23-,24-,25-,26+,27+,28+,29-,30-,31+,33-,34+;23-,24-,25-,26+,27+,28+,29-,30-,31-,33-,34+/m11/s1 |
| InChIKey | RQDNCWDZWSUTEW-KRTBRHGLSA-N |
| Literature Reference Author | A.FAZLI,S.J.BRADLEY,M.J.KIEFEL,C.JOLLY,I.H.HOLMES,M.V.ITZSTE IN |
| Literature Reference Citation | J.MED.CHEM.,44,3292(2001) |
| Literature Reference DOI | 10.1021/jm0100887 |
| Molecular Weight | 1545.545 g/mol |
| Sample ID | 45094 |
| Solvent | CDCl3 |