| SpectraBase Compound ID | 9tF4zBvdFak |
|---|---|
| InChI | InChI=1S/C50H46O15S/c1-2-66-49-43-41(64-50(55)65-43)39(36(59-49)29-56-28-31-18-8-3-9-19-31)63-48-42(62-47(54)35-26-16-7-17-27-35)40(61-46(53)34-24-14-6-15-25-34)38(60-45(52)33-22-12-5-13-23-33)37(58-48)30-57-44(51)32-20-10-4-11-21-32/h3-27,36-43,48-49H,2,28-30H2,1H3/t36-,37+,38-,39-,40-,41+,42+,43-,48-,49+/m0/s1 |
| InChIKey | KQIIFLIOWGIBGR-HSLFBJBSSA-N |
| Mol Weight | 919.0 g/mol |
| Molecular Formula | C50H46O15S |
| Exact Mass | 918.255742 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GmH9CuEyaXT |
|---|---|
| Name | ETHYL-6-O-BENZYL-2,3-O-CARBONATE-4-O-(2,3,4,6-TETRA-O-BENZYOL-BETA-D-GALACTOPYRANOSYL)-1-THIO-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H46O15S |
| InChI | InChI=1S/C50H46O15S/c1-2-66-49-43-41(64-50(55)65-43)39(36(59-49)29-56-28-31-18-8-3-9-19-31)63-48-42(62-47(54)35-26-16-7-17-27-35)40(61-46(53)34-24-14-6-15-25-34)38(60-45(52)33-22-12-5-13-23-33)37(58-48)30-57-44(51)32-20-10-4-11-21-32/h3-27,36-43,48-49H,2,28-30H2,1H3/t36-,37+,38-,39-,40-,41+,42+,43-,48-,49+/m0/s1 |
| InChIKey | KQIIFLIOWGIBGR-HSLFBJBSSA-N |
| Literature Reference Author | T.ZHU,G.J.BOONS |
| Literature Reference Citation | ORG.LETTERS,3,4201(2001) |
| Literature Reference DOI | 10.1021/ol016869j |
| Molecular Weight | 918.966 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU34007 |