| SpectraBase Compound ID | HhGyDMPiQ4w |
|---|---|
| InChI | InChI=1S/C52H93O45P3.3H3N/c1-2-3-4-5-6-7-8-9-10-81-98(75,76)95-50-38(71)32(65)43(21(14-56)86-50)92-48-37(70)31(64)27(60)23(89-48)16-82-99(77,78)96-52-40(73)34(67)44(22(15-57)88-52)93-49-41(74)45(94-47-36(69)30(63)26(59)19(12-54)85-47)28(61)24(90-49)17-83-100(79,80)97-51-39(72)33(66)42(20(13-55)87-51)91-46-35(68)29(62)25(58)18(11-53)84-46;;;/h2,18-74H,1,3-17H2,(H,75,76)(H,77,78)(H,79,80);3*1H3/t18-,19-,20-,21+,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+,51-,52+;;;/m1.../s1 |
| InChIKey | WXPSAHSFAYYWFT-LPDSVHOKSA-N |
| Mol Weight | 1582.29 g/mol |
| Molecular Formula | C52H102N3O45P3 |
| Exact Mass | 1581.499819 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FGduryCJ1Vs |
|---|---|
| Name | DEC-9-ENYL_BETA-D-GALACTOSYLPYRANOSYL-(1->4)-ALPHA-D-MANNOPYRANOSYL_PHOSPHATE_6-(GAL)-{BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GALACTOPYRA |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H102N3O45P3 |
| InChI | InChI=1S/C52H93O45P3.3H3N/c1-2-3-4-5-6-7-8-9-10-81-98(75,76)95-50-38(71)32(65)43(21(14-56)86-50)92-48-37(70)31(64)27(60)23(89-48)16-82-99(77,78)96-52-40(73)34(67)44(22(15-57)88-52)93-49-41(74)45(94-47-36(69)30(63)26(59)19(12-54)85-47)28(61)24(90-49)17-83-100(79,80)97-51-39(72)33(66)42(20(13-55)87-51)91-46-35(68)29(62)25(58)18(11-53)84-46;;;/h2,18-74H,1,3-17H2,(H,75,76)(H,77,78)(H,79,80);3*1H3/t18-,19-,20-,21+,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+,51-,52+;;;/m1.../s1 |
| InChIKey | WXPSAHSFAYYWFT-LPDSVHOKSA-N |
| Literature Reference Author | A.P.HIGSON,Y.E.TSVETKOV,M.A.J.FERGUSON,A.V.NIKOLAEV |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,2587(1998) |
| Literature Reference DOI | 10.1039/a802747a |
| Molecular Weight | 1582.296 g/mol |
| Solvent | D2O |