![3-(2-AMINOETHYLTHIO)-PROPYL-[3,4,6-TRI-O-BENZYL-BETA-D-MANNOPYRANOSYL-(1->2)]-3,4,6-TRI-O-BENZYL-BETA-D-MANNOPYRANOSIDE](/api/spectrum/7mH0RiRbUJD/structure.png?h=300&w=458 "3-(2-AMINOETHYLTHIO)-PROPYL-[3,4,6-TRI-O-BENZYL-BETA-D-MANNOPYRANOSYL-(1->2)]-3,4,6-TRI-O-BENZYL-BETA-D-MANNOPYRANOSIDE")
| SpectraBase Compound ID | JvTbNmg1Vvj |
|---|---|
| InChI | InChI=1S/C66H75NO11S/c67-37-40-79-39-22-38-70-65-64(62(74-46-55-33-18-6-19-34-55)60(72-44-53-29-14-4-15-30-53)57(76-65)48-68-41-50-23-8-1-9-24-50)78-66-63(75-47-56-35-20-7-21-36-56)61(73-45-54-31-16-5-17-32-54)59(71-43-52-27-12-3-13-28-52)58(77-66)49-69-42-51-25-10-2-11-26-51/h1-21,23-36,57-66H,22,37-49,67H2/t57-,58+,59+,60-,61-,62+,63-,64+,65-,66-/m0/s1 |
| InChIKey | PIAFRWHTUOBDQJ-JHQGTVDJSA-N |
| Mol Weight | 1090.4 g/mol |
| Molecular Formula | C66H75NO11S |
| Exact Mass | 1089.506083 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7mH0RiRbUJD |
|---|---|
| Name | 3-(2-AMINOETHYLTHIO)-PROPYL-[3,4,6-TRI-O-BENZYL-BETA-D-MANNOPYRANOSYL-(1->2)]-3,4,6-TRI-O-BENZYL-BETA-D-MANNOPYRANOSIDE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C66H75NO11S |
| InChI | InChI=1S/C66H75NO11S/c67-37-40-79-39-22-38-70-65-64(62(74-46-55-33-18-6-19-34-55)60(72-44-53-29-14-4-15-30-53)57(76-65)48-68-41-50-23-8-1-9-24-50)78-66-63(75-47-56-35-20-7-21-36-56)61(73-45-54-31-16-5-17-32-54)59(71-43-52-27-12-3-13-28-52)58(77-66)49-69-42-51-25-10-2-11-26-51/h1-21,23-36,57-66H,22,37-49,67H2/t57-,58+,59+,60-,61-,62+,63-,64+,65-,66-/m0/s1 |
| InChIKey | PIAFRWHTUOBDQJ-JHQGTVDJSA-N |
| Literature Reference Author | M.NITZ,D.R.BUNDLE |
| Literature Reference Citation | J.ORG.CHEM.,66,8411(2001) |
| Literature Reference DOI | 10.1021/jo010570x |
| Molecular Weight | 1090.382 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU29148 |