| SpectraBase Compound ID | AZsYBXdJh8B |
|---|---|
| InChI | InChI=1S/C69H78O13S/c1-48(70)77-63-61(76-45-52-32-16-5-17-33-52)59(75-44-51-30-14-4-15-31-51)57(46-73-42-49-26-10-2-11-27-49)78-68(63)82-60-58(47-74-43-50-28-12-3-13-29-50)79-69(83-65(53-34-18-6-19-35-53)54-36-20-7-21-37-54)64(81-67(72)56-40-24-9-25-41-56)62(60)80-66(71)55-38-22-8-23-39-55/h2-5,8-17,22-33,38-41,53-54,57-65,68-69H,6-7,18-21,34-37,42-47H2,1H3/t57-,58-,59-,60-,61+,62+,63-,64-,68+,69-/m0/s1 |
| InChIKey | XJZBHGVQEQSRIY-JUKZLBEDSA-N |
| Mol Weight | 1147.4 g/mol |
| Molecular Formula | C69H78O13S |
| Exact Mass | 1146.516314 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F5wSoeon79S |
|---|---|
| Name | DICYCLOHEXYLMETHYL_2,3-DI-O-BENZOYL-6-O-BENZYL-4-O-(2-O-ACETYL-3,4,6-TRI-O-BENZYL-BETA-D-GLUCOPYRANOSYL)-1-THIO-ALPHA-D-GLUCOPYRANOSIDE |
| Compound Number | 30 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C69H78O13S |
| InChI | InChI=1S/C69H78O13S/c1-48(70)77-63-61(76-45-52-32-16-5-17-33-52)59(75-44-51-30-14-4-15-31-51)57(46-73-42-49-26-10-2-11-27-49)78-68(63)82-60-58(47-74-43-50-28-12-3-13-29-50)79-69(83-65(53-34-18-6-19-35-53)54-36-20-7-21-37-54)64(81-67(72)56-40-24-9-25-41-56)62(60)80-66(71)55-38-22-8-23-39-55/h2-5,8-17,22-33,38-41,53-54,57-65,68-69H,6-7,18-21,34-37,42-47H2,1H3/t57-,58-,59-,60-,61+,62+,63-,64-,68+,69-/m0/s1 |
| InChIKey | XJZBHGVQEQSRIY-JUKZLBEDSA-N |
| Literature Reference Author | R.GEURTSEN,D.S.HOLMES,G.J.BOONS |
| Literature Reference Citation | J.ORG.CHEM.,62,8145(1997) |
| Literature Reference DOI | 10.1021/jo971233k |
| Molecular Weight | 1147.431 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ5278 |