![#17;PHENYL-[METHYL-(5-DIACETAMIDO-7-O-ACETYL-4,8,9-TRI-O-BENZOYL-3,5-DIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSYL)-ONATE]-(2->3)-O-2-O-ACETYL-4,6-DI-O-B](/api/spectrum/22QXbf6xb9k/structure.png?h=300&w=458 "#17;PHENYL-[METHYL-(5-DIACETAMIDO-7-O-ACETYL-4,8,9-TRI-O-BENZOYL-3,5-DIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSYL)-ONATE]-(2->3)-O-2-O-ACETYL-4,6-DI-O-B")
| SpectraBase Compound ID | LZZVdPsBsSr |
|---|---|
| InChI | InChI=1S/C92H83NO29S/c1-55(94)93(56(2)95)72-68(113-84(101)62-39-21-9-22-40-62)51-92(91(106)107-5,121-76(72)73(111-57(3)96)69(114-85(102)63-41-23-10-24-42-63)52-108-81(98)59-33-15-6-16-34-59)122-78-75(117-86(103)64-43-25-11-26-44-64)70(53-109-82(99)60-35-17-7-18-36-60)115-89(79(78)112-58(4)97)120-74-71(54-110-83(100)61-37-19-8-20-38-61)116-90(123-67-49-31-14-32-50-67)80(119-88(105)66-47-29-13-30-48-66)77(74)118-87(104)65-45-27-12-28-46-65/h6-50,68-80,89-90H,51-54H2,1-5H3/t68-,69-,70+,71+,72+,73+,74+,75-,76+,77-,78-,79+,80+,89-,90-,92-/m0/s1 |
| InChIKey | HUDGCNQTWSWRKX-SBTLMKPBSA-N |
| Mol Weight | 1698.7 g/mol |
| Molecular Formula | C92H83NO29S |
| Exact Mass | 1697.477147 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 22QXbf6xb9k |
|---|---|
| Name | #17;PHENYL-[METHYL-(5-DIACETAMIDO-7-O-ACETYL-4,8,9-TRI-O-BENZOYL-3,5-DIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSYL)-ONATE]-(2->3)-O-2-O-ACETYL-4,6-DI-O-B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C92H83NO29S |
| InChI | InChI=1S/C92H83NO29S/c1-55(94)93(56(2)95)72-68(113-84(101)62-39-21-9-22-40-62)51-92(91(106)107-5,121-76(72)73(111-57(3)96)69(114-85(102)63-41-23-10-24-42-63)52-108-81(98)59-33-15-6-16-34-59)122-78-75(117-86(103)64-43-25-11-26-44-64)70(53-109-82(99)60-35-17-7-18-36-60)115-89(79(78)112-58(4)97)120-74-71(54-110-83(100)61-37-19-8-20-38-61)116-90(123-67-49-31-14-32-50-67)80(119-88(105)66-47-29-13-30-48-66)77(74)118-87(104)65-45-27-12-28-46-65/h6-50,68-80,89-90H,51-54H2,1-5H3/t68-,69-,70+,71+,72+,73+,74+,75-,76+,77-,78-,79+,80+,89-,90-,92-/m0/s1 |
| InChIKey | HUDGCNQTWSWRKX-SBTLMKPBSA-N |
| Literature Reference Author | S.MEHTA,M.GILBERT,W.W.WAKARCHUK,D.M.WHITFIELD |
| Literature Reference Citation | ORG.LETTERS,2,751(2000) |
| Literature Reference DOI | 10.1021/ol990406k |
| Molecular Weight | 1698.720 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU33364 |