| SpectraBase Compound ID | A4d2R12qYrr |
|---|---|
| InChI | InChI=1S/C50H84N4O40P2.2Na/c1-15(61)52-27-39(79-18(4)64)30(67)21(9-55)82-45(27)89-43-32(69)23(11-57)84-49(35(43)72)93-95(74,75)92-38-26(14-60)87-47(29(54-17(3)63)41(38)81-20(6)66)90-44-33(70)24(12-58)85-50(36(44)73)94-96(76,77)91-37-25(13-59)86-46(28(53-16(2)62)40(37)80-19(5)65)88-42-31(68)22(10-56)83-48(34(42)71)78-8-7-51;;/h21-50,55-60,67-73H,7-14,51H2,1-6H3,(H,52,61)(H,53,62)(H,54,63)(H,74,75)(H,76,77);;/q;2*+1/p-2/t21-,22-,23-,24+,25-,26+,27-,28-,29+,30-,31+,32+,33-,34-,35-,36+,37-,38+,39-,40-,41+,42+,43+,44-,45+,46+,47-,48+,49-,50+;;/m1../s1 |
| InChIKey | JDFQKROZYWHZGE-HPTBVWBESA-L |
| Mol Weight | 1487.12106256 g/mol |
| Molecular Formula | C50H82N4Na2O40P2 |
| Exact Mass | 1486.377596 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E33XRupzWMb |
|---|---|
| Name | #39;2-AMINOETHYL-2-ACETAMIDO-3-O-ACETYL-2-DEOXY-BETA-D-GLUCOPYRANOSYL-(1->3)-ALPHA-D-GALACTOPYRANOSYL-PHOSPHATE-(1->4)-2-ACETAMIDO-3-O-ACETYL-2-DEOXY-BE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H82N4Na2O40P2 |
| InChI | InChI=1S/C50H84N4O40P2.2Na/c1-15(61)52-27-39(79-18(4)64)30(67)21(9-55)82-45(27)89-43-32(69)23(11-57)84-49(35(43)72)93-95(74,75)92-38-26(14-60)87-47(29(54-17(3)63)41(38)81-20(6)66)90-44-33(70)24(12-58)85-50(36(44)73)94-96(76,77)91-37-25(13-59)86-46(28(53-16(2)62)40(37)80-19(5)65)88-42-31(68)22(10-56)83-48(34(42)71)78-8-7-51;;/h21-50,55-60,67-73H,7-14,51H2,1-6H3,(H,52,61)(H,53,62)(H,54,63)(H,74,75)(H,76,77);;/q;2*+1/p-2/t21-,22-,23-,24+,25-,26+,27-,28-,29+,30-,31+,32+,33-,34-,35-,36+,37-,38+,39-,40-,41+,42+,43+,44-,45+,46+,47-,48+,49-,50+;;/m1../s1 |
| InChIKey | JDFQKROZYWHZGE-HPTBVWBESA-L |
| Literature Reference Author | J.HANSSON,P.J.GAREGG,S.OSCARSON |
| Literature Reference Citation | J.ORG.CHEM.,66,6234(2001) |
| Literature Reference DOI | 10.1021/jo001302m |
| Molecular Weight | 1487.131 g/mol |
| Solvent | D2O |
| Source File Reference | UWVN24580 |