| SpectraBase Compound ID | 1RM44tfedfQ |
|---|---|
| InChI | InChI=1S/C60H70O11S/c61-50-53(52-49(40-66-58(70-52)47-34-20-7-21-35-47)68-60(50)72-56(44-28-14-4-15-29-44)45-30-16-5-17-31-45)71-59-55(69-57(62)46-32-18-6-19-33-46)54(65-38-43-26-12-3-13-27-43)51(64-37-42-24-10-2-11-25-42)48(67-59)39-63-36-41-22-8-1-9-23-41/h1-3,6-13,18-27,32-35,44-45,48-56,58-61H,4-5,14-17,28-31,36-40H2/t48-,49+,50+,51-,52+,53+,54+,55-,58+,59+,60-/m1/s1 |
| InChIKey | VNDFOZLESLRAJH-QZCSRMCWSA-N |
| Mol Weight | 999.3 g/mol |
| Molecular Formula | C60H70O11S |
| Exact Mass | 998.463884 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LpoDQnHeDJ0 |
|---|---|
| Name | DICYCLOHEXYLMETHYL-3-O-(2-O-BENZOYL-3,4,6-TRI-O-BENZYL-BETA-D-GLUCOPYRANOSYL)-4,6-O-BENZYLIDENE-1-THIO-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H70O11S |
| InChI | InChI=1S/C60H70O11S/c61-50-53(52-49(40-66-58(70-52)47-34-20-7-21-35-47)68-60(50)72-56(44-28-14-4-15-29-44)45-30-16-5-17-31-45)71-59-55(69-57(62)46-32-18-6-19-33-46)54(65-38-43-26-12-3-13-27-43)51(64-37-42-24-10-2-11-25-42)48(67-59)39-63-36-41-22-8-1-9-23-41/h1-3,6-13,18-27,32-35,44-45,48-56,58-61H,4-5,14-17,28-31,36-40H2/t48-,49+,50+,51-,52+,53+,54+,55-,58+,59+,60-/m1/s1 |
| InChIKey | VNDFOZLESLRAJH-QZCSRMCWSA-N |
| Literature Reference Author | R.GEURTSEN,F.COTE,M.G.HAHN,G.J.BOONS |
| Literature Reference Citation | J.ORG.CHEM.,64,7828(1999) |
| Literature Reference DOI | 10.1021/jo990836o |
| Molecular Weight | 999.269 g/mol |
| Sample ID | 59957 |
| Solvent | CDCl3 |