![ETHYL-[2,3-DI-O-BENZOYL-4,6-O-BENZYLIDENE-BETA-D-GLUCOPYRANOSYL-(1->4)]-2,3,6-TRI-O-BENZOYL-1-THIO-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/Ba6DuY4GMtz/structure.png?h=300&w=458 "ETHYL-[2,3-DI-O-BENZOYL-4,6-O-BENZYLIDENE-BETA-D-GLUCOPYRANOSYL-(1->4)]-2,3,6-TRI-O-BENZOYL-1-THIO-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | qksmV2Pc1F |
|---|---|
| InChI | InChI=1S/C56H50O15S/c1-2-72-56-48(69-53(61)39-29-17-7-18-30-39)46(67-51(59)37-25-13-5-14-26-37)44(42(65-56)33-62-49(57)35-21-9-3-10-22-35)71-55-47(68-52(60)38-27-15-6-16-28-38)45(66-50(58)36-23-11-4-12-24-36)43-41(64-55)34-63-54(70-43)40-31-19-8-20-32-40/h3-32,41-48,54-56H,2,33-34H2,1H3/t41-,42-,43-,44-,45+,46+,47-,48-,54-,55+,56+/m1/s1 |
| InChIKey | QGTGVTUDBCJZMU-KUTYDLOWSA-N |
| Mol Weight | 995.1 g/mol |
| Molecular Formula | C56H50O15S |
| Exact Mass | 994.287042 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ba6DuY4GMtz |
|---|---|
| Name | ETHYL-[2,3-DI-O-BENZOYL-4,6-O-BENZYLIDENE-BETA-D-GLUCOPYRANOSYL-(1->4)]-2,3,6-TRI-O-BENZOYL-1-THIO-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H50O15S |
| InChI | InChI=1S/C56H50O15S/c1-2-72-56-48(69-53(61)39-29-17-7-18-30-39)46(67-51(59)37-25-13-5-14-26-37)44(42(65-56)33-62-49(57)35-21-9-3-10-22-35)71-55-47(68-52(60)38-27-15-6-16-28-38)45(66-50(58)36-23-11-4-12-24-36)43-41(64-55)34-63-54(70-43)40-31-19-8-20-32-40/h3-32,41-48,54-56H,2,33-34H2,1H3/t41-,42-,43-,44-,45+,46+,47-,48-,54-,55+,56+/m1/s1 |
| InChIKey | QGTGVTUDBCJZMU-KUTYDLOWSA-N |
| Literature Reference Author | D.J.LEFEBER,E.A.AREVALO,J.P.KAMERLING,J.F.G.VLIEGENTHART |
| Literature Reference Citation | CAN.J.CHEM.,80,76(2002) |
| Literature Reference DOI | 10.1139/v01-190 |
| Molecular Weight | 995.064 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU29811 |