| SpectraBase Compound ID | 9Nj2FF19LvE |
|---|---|
| InChI | InChI=1S/C55H85NO20/c1-50(2)19-27-26-13-14-33-52(5)17-16-35(76-49-43(66)40(63)38(61)31(75-49)23-72-48-42(65)39(62)37(60)30(74-48)22-71-47-41(64)36(59)29(57)21-70-47)51(3,4)32(52)15-18-53(33,6)54(26,7)20-34(58)55(27,45(68)44(50)67)24-73-46(69)25-11-9-10-12-28(25)56-8/h9-13,27,29-45,47-49,56-68H,14-24H2,1-8H3/t27-,29+,30+,31+,32?,33?,34-,35-,36-,37+,38+,39-,40-,41+,42+,43+,44-,45-,47-,48+,49-,52-,53+,54+,55-/m0/s1 |
| InChIKey | UCUWTEYSEAOILS-TWAVBPFRSA-N |
| Mol Weight | 1080.3 g/mol |
| Molecular Formula | C55H85NO20 |
| Exact Mass | 1079.566494 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ha8HsmlgjWv |
|---|---|
| Name | SITAKISOSIDE_XVIII;3-O-BETA-D-XYLOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL_28-O-N-METHYLANTHRANILOYL_MARSGLOBIFERIN |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H85NO20 |
| InChI | InChI=1S/C55H85NO20/c1-50(2)19-27-26-13-14-33-52(5)17-16-35(76-49-43(66)40(63)38(61)31(75-49)23-72-48-42(65)39(62)37(60)30(74-48)22-71-47-41(64)36(59)29(57)21-70-47)51(3,4)32(52)15-18-53(33,6)54(26,7)20-34(58)55(27,45(68)44(50)67)24-73-46(69)25-11-9-10-12-28(25)56-8/h9-13,27,29-45,47-49,56-68H,14-24H2,1-8H3/t27-,29+,30+,31+,32?,33?,34-,35-,36-,37+,38+,39-,40-,41+,42+,43+,44-,45-,47-,48+,49-,52-,53+,54+,55-/m0/s1 |
| InChIKey | UCUWTEYSEAOILS-TWAVBPFRSA-N |
| Literature Reference Author | K.YOSHIKAWA,A.MIZUTANI,Y.KAN,S.ARIHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,45,62(1997) |
| Literature Reference DOI | 10.1248/cpb.45.62 |
| Molecular Weight | 1080.275 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ22129 |