![METHYL-2,3,4-TRI-O-ACETYL-6-THIO-6-[2'-(METHYL-BUTANOATE)]-BETA-D-GALACTOPYRANOSYL-(1,4)-2,3,6-TRI-O-ACETYL-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/Da0ETot7wW7/structure.png?h=300&w=458 "METHYL-2,3,4-TRI-O-ACETYL-6-THIO-6-[2'-(METHYL-BUTANOATE)]-BETA-D-GALACTOPYRANOSYL-(1,4)-2,3,6-TRI-O-ACETYL-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | 8y9rMQbFePL |
|---|---|
| InChI | InChI=1S/2C30H44O18S/c2*1-10-21(28(37)38-8)49-12-20-23(41-14(3)32)25(43-16(5)34)27(45-18(7)36)30(47-20)48-22-19(11-40-13(2)31)46-29(39-9)26(44-17(6)35)24(22)42-15(4)33/h2*19-27,29-30H,10-12H2,1-9H3/t19-,20-,21+,22-,23+,24+,25+,26-,27-,29-,30+;19-,20-,21-,22-,23+,24+,25+,26-,27-,29-,30+/m11/s1 |
| InChIKey | UDTPWBXHNWOIMO-RKZUUIOVSA-N |
| Mol Weight | 1449.4 g/mol |
| Molecular Formula | C60H88O36S2 |
| Exact Mass | 1448.449671 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Da0ETot7wW7 |
|---|---|
| Name | METHYL-2,3,4-TRI-O-ACETYL-6-THIO-6-[2'-(METHYL-BUTANOATE)]-BETA-D-GALACTOPYRANOSYL-(1,4)-2,3,6-TRI-O-ACETYL-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 23 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H88O36S2 |
| InChI | InChI=1S/2C30H44O18S/c2*1-10-21(28(37)38-8)49-12-20-23(41-14(3)32)25(43-16(5)34)27(45-18(7)36)30(47-20)48-22-19(11-40-13(2)31)46-29(39-9)26(44-17(6)35)24(22)42-15(4)33/h2*19-27,29-30H,10-12H2,1-9H3/t19-,20-,21+,22-,23+,24+,25+,26-,27-,29-,30+;19-,20-,21-,22-,23+,24+,25+,26-,27-,29-,30+/m11/s1 |
| InChIKey | UDTPWBXHNWOIMO-RKZUUIOVSA-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 | 1449.457 g/mol |
| Sample ID | 45093 |
| Solvent | CDCl3 |