| SpectraBase Compound ID | ENL3kX8Sg1O |
|---|---|
| InChI | InChI=1S/C73H64O22S/c74-55-52(89-73(57(76)56(55)75)96-51-39-23-8-24-40-51)41-86-71-62(93-69(82)49-35-19-6-20-36-49)61(92-68(81)48-33-17-5-18-34-48)59(54(87-71)43-85-65(78)45-27-11-2-12-28-45)95-72-63(94-70(83)50-37-21-7-22-38-50)60(91-67(80)47-31-15-4-16-32-47)58(90-66(79)46-29-13-3-14-30-46)53(88-72)42-84-64(77)44-25-9-1-10-26-44/h1-40,52-63,71-76H,41-43H2/t52-,53+,54+,55-,56+,57-,58-,59+,60-,61-,62+,63+,71+,72-,73+/m0/s1 |
| InChIKey | USHIGKYLFOVXLD-FGWRYDRJSA-N |
| Mol Weight | 1325.4 g/mol |
| Molecular Formula | C73H64O22S |
| Exact Mass | 1324.360995 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JKLOEnyNs7c |
|---|---|
| Name | PHENYL-2,3,4,6-TETRA-O-BENZOYL-BETA-D-GALACTOPYRANOSYL-(1->4)-2,3,4-TRI-O-BENZOYL-BETA-D-GLUCOPYRANOSYL-(1->6)-1-THIO-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 26 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C73H64O22S |
| InChI | InChI=1S/C73H64O22S/c74-55-52(89-73(57(76)56(55)75)96-51-39-23-8-24-40-51)41-86-71-62(93-69(82)49-35-19-6-20-36-49)61(92-68(81)48-33-17-5-18-34-48)59(54(87-71)43-85-65(78)45-27-11-2-12-28-45)95-72-63(94-70(83)50-37-21-7-22-38-50)60(91-67(80)47-31-15-4-16-32-47)58(90-66(79)46-29-13-3-14-30-46)53(88-72)42-84-64(77)44-25-9-1-10-26-44/h1-40,52-63,71-76H,41-43H2/t52-,53+,54+,55-,56+,57-,58-,59+,60-,61-,62+,63+,71+,72-,73+/m0/s1 |
| InChIKey | USHIGKYLFOVXLD-FGWRYDRJSA-N |
| Literature Reference Author | A.MAGGI,R.MADSEN |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2013,2683(2013) |
| Literature Reference DOI | 10.1002/ejoc.201300026 |
| Molecular Weight | 1325.358 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT18535 |