| SpectraBase Compound ID | HMYyVncXrkC |
|---|---|
| InChI | InChI=1S/C51H84O24/c1-19-7-10-51(66-18-19)20(2)32-27(75-51)12-24-22-6-5-21-11-26(25(56)13-50(21,4)23(22)8-9-49(24,32)3)67-45-40(64)38(62)42(31(17-55)71-45)72-48-44(37(61)34(58)29(15-53)70-48)74-47-41(65)43(35(59)30(16-54)69-47)73-46-39(63)36(60)33(57)28(14-52)68-46/h19-48,52-65H,5-18H2,1-4H3/t19-,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+/m1/s1 |
| InChIKey | WNZPHOMFCAOKNK-RERLOGKOSA-N |
| Mol Weight | 1081.2 g/mol |
| Molecular Formula | C51H84O24 |
| Exact Mass | 1080.535254 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CDSKPfJcCjN |
|---|---|
| Name | GITOGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSIDE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H84O24 |
| InChI | InChI=1S/C51H84O24/c1-19-7-10-51(66-18-19)20(2)32-27(75-51)12-24-22-6-5-21-11-26(25(56)13-50(21,4)23(22)8-9-49(24,32)3)67-45-40(64)38(62)42(31(17-55)71-45)72-48-44(37(61)34(58)29(15-53)70-48)74-47-41(65)43(35(59)30(16-54)69-47)73-46-39(63)36(60)33(57)28(14-52)68-46/h19-48,52-65H,5-18H2,1-4H3/t19-,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+/m1/s1 |
| InChIKey | WNZPHOMFCAOKNK-RERLOGKOSA-N |
| Literature Reference Author | S.YAHARA,T.URA,C.SAKAMOTO,T.NOHARA |
| Literature Reference Citation | PHYTOCHEM.,37,831(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)90366-2 |
| Molecular Weight | 1081.214 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU23521 |