![METHYL-2,3,4-TRI-O-ACETYL-6-THIO-6-[2'-(ETHYL-PROPANOATE)]-BETA-D-GALACTOPYRANOSYL-(1,4)-2,3,6-TRI-O-ACETYL-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/LbENbHrkvTN/structure.png?h=300&w=458 "METHYL-2,3,4-TRI-O-ACETYL-6-THIO-6-[2'-(ETHYL-PROPANOATE)]-BETA-D-GALACTOPYRANOSYL-(1,4)-2,3,6-TRI-O-ACETYL-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | HdV4nb9Banu |
|---|---|
| InChI | InChI=1S/2C30H44O18S/c2*1-10-39-28(37)13(2)49-12-21-23(41-15(4)32)25(43-17(6)34)27(45-19(8)36)30(47-21)48-22-20(11-40-14(3)31)46-29(38-9)26(44-18(7)35)24(22)42-16(5)33/h2*13,20-27,29-30H,10-12H2,1-9H3/t13-,20+,21+,22+,23-,24-,25-,26+,27+,29+,30-;13-,20-,21-,22-,23+,24+,25+,26-,27-,29-,30+/m00/s1 |
| InChIKey | UXZVVSYTHUWHGN-UKTOBKFOSA-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 | LbENbHrkvTN |
|---|---|
| Name | METHYL-2,3,4-TRI-O-ACETYL-6-THIO-6-[2'-(ETHYL-PROPANOATE)]-BETA-D-GALACTOPYRANOSYL-(1,4)-2,3,6-TRI-O-ACETYL-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 20 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H88O36S2 |
| InChI | InChI=1S/2C30H44O18S/c2*1-10-39-28(37)13(2)49-12-21-23(41-15(4)32)25(43-17(6)34)27(45-19(8)36)30(47-21)48-22-20(11-40-14(3)31)46-29(38-9)26(44-18(7)35)24(22)42-16(5)33/h2*13,20-27,29-30H,10-12H2,1-9H3/t13-,20+,21+,22+,23-,24-,25-,26+,27+,29+,30-;13-,20-,21-,22-,23+,24+,25+,26-,27-,29-,30+/m00/s1 |
| InChIKey | UXZVVSYTHUWHGN-UKTOBKFOSA-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 | 45090 |
| Solvent | CDCl3 |