| SpectraBase Compound ID | CtLFfai7zQe |
|---|---|
| InChI | InChI=1S/C67H74O12S/c68-63(51-35-19-6-20-36-51)76-60-58(72-43-48-29-13-3-14-30-48)56(71-42-47-27-11-2-12-28-47)54(44-70-41-46-25-9-1-10-26-46)74-66(60)79-59-57-55(45-73-65(78-57)53-39-23-8-24-40-53)75-67(61(59)77-64(69)52-37-21-7-22-38-52)80-62(49-31-15-4-16-32-49)50-33-17-5-18-34-50/h1-3,6-14,19-30,35-40,49-50,54-62,65-67H,4-5,15-18,31-34,41-45H2/t54-,55-,56-,57-,58+,59+,60-,61-,65-,66+,67+/m0/s1 |
| InChIKey | UPJHYPREGSWCLV-GEGIFGJTSA-N |
| Mol Weight | 1103.4 g/mol |
| Molecular Formula | C67H74O12S |
| Exact Mass | 1102.490099 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4OzrIxe3efS |
|---|---|
| Name | DICYCLOHEXYLMETHYL-3-O-(2-O-BENZOYL-3,4,6-TRI-O-BENZYL-BETA-D-GLUCOPYRANOSYL)-2-O-BENZOYL-4,6-O-BENZYLIDENE-1-THIO-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C67H74O12S |
| InChI | InChI=1S/C67H74O12S/c68-63(51-35-19-6-20-36-51)76-60-58(72-43-48-29-13-3-14-30-48)56(71-42-47-27-11-2-12-28-47)54(44-70-41-46-25-9-1-10-26-46)74-66(60)79-59-57-55(45-73-65(78-57)53-39-23-8-24-40-53)75-67(61(59)77-64(69)52-37-21-7-22-38-52)80-62(49-31-15-4-16-32-49)50-33-17-5-18-34-50/h1-3,6-14,19-30,35-40,49-50,54-62,65-67H,4-5,15-18,31-34,41-45H2/t54-,55-,56-,57-,58+,59+,60-,61-,65-,66+,67+/m0/s1 |
| InChIKey | UPJHYPREGSWCLV-GEGIFGJTSA-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 | 1103.377 g/mol |
| Sample ID | 59958 |
| Solvent | CDCl3 |