| SpectraBase Compound ID | 4Wq7bcwtRzO |
|---|---|
| InChI | InChI=1S/C78H71N3O19S2/c82-61(39-23-22-38-60-62-57(47-101-60)80-78(90)81-62)79-56-42-40-48(41-43-56)46-102-77-68(99-75(89)55-36-20-7-21-37-55)66(97-73(87)53-32-16-5-17-33-53)64(59(94-77)45-92-70(84)50-26-10-2-11-27-50)100-76-67(98-74(88)54-34-18-6-19-35-54)65(96-72(86)52-30-14-4-15-31-52)63(95-71(85)51-28-12-3-13-29-51)58(93-76)44-91-69(83)49-24-8-1-9-25-49/h1-21,24-37,40-43,57-60,62-68,76-77H,22-23,38-39,44-47H2,(H,79,82)(H2,80,81,90)/t57-,58+,59+,60-,62-,63-,64+,65-,66-,67+,68+,76-,77-/m0/s1 |
| InChIKey | QRBMNADSSYKOIA-XRXGEXPZSA-N |
| Mol Weight | 1418.5 g/mol |
| Molecular Formula | C78H71N3O19S2 |
| Exact Mass | 1417.412319 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 73oaaja9bIv |
|---|---|
| Name | S-D-BIOTINOYL-4-AMINOBENZYL-2,3,4,6-TETRA-O-BENZOYL-BETA-D-GALACTOPYRANOSYL-(1->4)-2,3,6-TRI-O-BENZOYL-1-THIO-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 20 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C78H71N3O19S2 |
| InChI | InChI=1S/C78H71N3O19S2/c82-61(39-23-22-38-60-62-57(47-101-60)80-78(90)81-62)79-56-42-40-48(41-43-56)46-102-77-68(99-75(89)55-36-20-7-21-37-55)66(97-73(87)53-32-16-5-17-33-53)64(59(94-77)45-92-70(84)50-26-10-2-11-27-50)100-76-67(98-74(88)54-34-18-6-19-35-54)65(96-72(86)52-30-14-4-15-31-52)63(95-71(85)51-28-12-3-13-29-51)58(93-76)44-91-69(83)49-24-8-1-9-25-49/h1-21,24-37,40-43,57-60,62-68,76-77H,22-23,38-39,44-47H2,(H,79,82)(H2,80,81,90)/t57-,58+,59+,60-,62-,63-,64+,65-,66-,67+,68+,76-,77-/m0/s1 |
| InChIKey | QRBMNADSSYKOIA-XRXGEXPZSA-N |
| Literature Reference Author | D.I.ANGUS,M.J.KIEFEL,M.V.ITZSTEIN |
| Literature Reference Citation | BIOORG.MED.CHEM.,8,2709(2000) |
| Literature Reference DOI | 10.1016/S0968-0896(00)00201-7 |
| Molecular Weight | 1418.550 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN20492 |