![#17;[N-(1)-(BENZYLOXYCARBONYL)-N-(4)-[N-ACETYL-N-[3-THIO-(2-ACETAMIDOETHYL)]-PROPYL-[(ALPHA-D-GALACTOPYRANOSYL)-(1->3)-(BETA-D-GALACTOPYRANOSYLAMINE)-(1->4)-BE](/api/spectrum/JwrmZeWVOU6/structure.png?h=300&w=458 "#17;[N-(1)-(BENZYLOXYCARBONYL)-N-(4)-[N-ACETYL-N-[3-THIO-(2-ACETAMIDOETHYL)]-PROPYL-[(ALPHA-D-GALACTOPYRANOSYL)-(1->3)-(BETA-D-GALACTOPYRANOSYLAMINE)-(1->4)-BE")
| SpectraBase Compound ID | Ez6smYpDYO6 |
|---|---|
| InChI | InChI=1S/2C40H62N4O22S/c2*1-19(48)44(11-5-12-67-13-10-41-25(49)9-8-21(36(59)42-14-26(50)51)43-40(60)61-18-20-6-3-2-4-7-20)37-31(56)30(55)34(24(17-47)62-37)65-39-33(58)35(28(53)23(16-46)64-39)66-38-32(57)29(54)27(52)22(15-45)63-38/h2*2-4,6-7,21-24,27-35,37-39,45-47,52-58H,5,8-18H2,1H3,(H,41,49)(H,42,59)(H,43,60)(H,50,51)/t2*21-,22-,23-,24-,27+,28+,29+,30-,31-,32-,33-,34-,35+,37-,38-,39+/m00/s1 |
| InChIKey | MVQNNRLVNFHFLK-ODLMANRYSA-N |
| Mol Weight | 1966.0 g/mol |
| Molecular Formula | C80H124N8O44S2 |
| Exact Mass | 1964.715282 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JwrmZeWVOU6 |
|---|---|
| Name | #17;[N-(1)-(BENZYLOXYCARBONYL)-N-(4)-[N-ACETYL-N-[3-THIO-(2-ACETAMIDOETHYL)]-PROPYL-[(ALPHA-D-GALACTOPYRANOSYL)-(1->3)-(BETA-D-GALACTOPYRANOSYLAMINE)-(1->4)-BE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C80H124N8O44S2 |
| InChI | InChI=1S/2C40H62N4O22S/c2*1-19(48)44(11-5-12-67-13-10-41-25(49)9-8-21(36(59)42-14-26(50)51)43-40(60)61-18-20-6-3-2-4-7-20)37-31(56)30(55)34(24(17-47)62-37)65-39-33(58)35(28(53)23(16-46)64-39)66-38-32(57)29(54)27(52)22(15-45)63-38/h2*2-4,6-7,21-24,27-35,37-39,45-47,52-58H,5,8-18H2,1H3,(H,41,49)(H,42,59)(H,43,60)(H,50,51)/t2*21-,22-,23-,24-,27+,28+,29+,30-,31-,32-,33-,34-,35+,37-,38-,39+/m00/s1 |
| InChIKey | MVQNNRLVNFHFLK-ODLMANRYSA-N |
| Literature Reference Author | D.RAMOS,P.ROLLIN,W.KLAFFKE |
| Literature Reference Citation | J.ORG.CHEM.,66,2948(2001) |
| Literature Reference DOI | 10.1021/jo001439c |
| Molecular Weight | 1966.012 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN26239 |