| SpectraBase Compound ID | Celxpugo5YM |
|---|---|
| InChI | InChI=1S/C68H84O15S/c1-2-3-4-5-6-25-38-74-66-64(79-45-53-36-23-12-24-37-53)62(77-43-51-32-19-10-20-33-51)60(75-41-49-28-15-8-16-29-49)56(81-66)47-80-67-65(84-68-59(72)58(71)57(70)54(39-69)83-68)63(78-44-52-34-21-11-22-35-52)61(76-42-50-30-17-9-18-31-50)55(82-67)46-73-40-48-26-13-7-14-27-48/h7-24,26-37,54-72H,2-6,25,38-47H2,1H3/t54-,55-,56+,57-,58+,59-,60+,61-,62-,63+,64+,65+,66+,67+,68+/m0/s1 |
| InChIKey | ZXNYEQMZIZIDKO-CDHMBTCJSA-N |
| Mol Weight | 1173.5 g/mol |
| Molecular Formula | C68H84O15S |
| Exact Mass | 1172.553093 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4UYKJj0tGpd |
|---|---|
| Name | OCTYL_BETA-D-GLUCOPYRANOSYL-(1->2)-3,4,6-TRI-O-BENZYL-2-DEOXY-2-THIO-ALPHA-D-MANNOPYRANOSYL-(1->6)-2,3,4-TRI-O-BENZYL-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 19 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C68H84O15S |
| InChI | InChI=1S/C68H84O15S/c1-2-3-4-5-6-25-38-74-66-64(79-45-53-36-23-12-24-37-53)62(77-43-51-32-19-10-20-33-51)60(75-41-49-28-15-8-16-29-49)56(81-66)47-80-67-65(84-68-59(72)58(71)57(70)54(39-69)83-68)63(78-44-52-34-21-11-22-35-52)61(76-42-50-30-17-9-18-31-50)55(82-67)46-73-40-48-26-13-7-14-27-48/h7-24,26-37,54-72H,2-6,25,38-47H2,1H3/t54-,55-,56+,57-,58+,59-,60+,61-,62-,63+,64+,65+,66+,67+,68+/m0/s1 |
| InChIKey | ZXNYEQMZIZIDKO-CDHMBTCJSA-N |
| Literature Reference Author | P.P.LU,O.HINDSGAUL,H.LI,M.M.PALCIC |
| Literature Reference Citation | CAN.J.CHEM.,75,790(1997) |
| Literature Reference DOI | 10.1139/v97-095 |
| Molecular Weight | 1173.466 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ966 |