| SpectraBase Compound ID | QHJT54RRip |
|---|---|
| InChI | InChI=1S/C50H82O23/c1-19-7-10-50(65-17-19)20(2)32-28(73-50)12-24-22-6-5-21-11-27(25(54)13-49(21,4)23(22)8-9-48(24,32)3)66-45-40(63)37(60)41(31(16-53)69-45)70-47-43(72-46-39(62)36(59)34(57)29(14-51)67-46)42(35(58)30(15-52)68-47)71-44-38(61)33(56)26(55)18-64-44/h19-47,51-63H,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+/m0/s1 |
| InChIKey | AULWDENWMBJIIQ-LKSFNLQQSA-N |
| Mol Weight | 1051.2 g/mol |
| Molecular Formula | C50H82O23 |
| Exact Mass | 1050.524689 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 68VA2IGnM57 |
|---|---|
| Name | GITOGENIN-3-O-[O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSIDE] |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H82O23 |
| InChI | InChI=1S/C50H82O23/c1-19-7-10-50(65-17-19)20(2)32-28(73-50)12-24-22-6-5-21-11-27(25(54)13-49(21,4)23(22)8-9-48(24,32)3)66-45-40(63)37(60)41(31(16-53)69-45)70-47-43(72-46-39(62)36(59)34(57)29(14-51)67-46)42(35(58)30(15-52)68-47)71-44-38(61)33(56)26(55)18-64-44/h19-47,51-63H,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+/m0/s1 |
| InChIKey | AULWDENWMBJIIQ-LKSFNLQQSA-N |
| Literature Reference Author | Y.MIMAKI,A.KAMEYAMA,M.KURODA,Y.SASHIDA,T.HIRANO,K.OKA,K.KOIK E,T.NIKAIDO |
| Literature Reference Citation | PHYTOCHEM.,44,305(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00548-1 |
| Molecular Weight | 1051.187 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWPA78 |