| SpectraBase Compound ID | ID3YN2DvJOt |
|---|---|
| InChI | InChI=1S/C50H82O22/c1-20-7-12-50(64-18-20)21(2)32-28(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)65-45-40(62)37(59)41(31(17-53)68-45)69-47-43(71-46-39(61)36(58)34(56)29(15-51)66-46)42(35(57)30(16-52)67-47)70-44-38(60)33(55)27(54)19-63-44/h20-47,51-62H,5-19H2,1-4H3/t20-,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 | BJNQXJIQCPPOHN-BXUXGVDVSA-N |
| Mol Weight | 1035.2 g/mol |
| Molecular Formula | C50H82O22 |
| Exact Mass | 1034.529774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 69LljDJXg0e |
|---|---|
| Name | DIURANTHOSIDE_A;NEOTIGOGENIN_3-O-BETA-GLUCOPYRANOSYL-(1->2)-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOP |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H82O22 |
| InChI | InChI=1S/C50H82O22/c1-20-7-12-50(64-18-20)21(2)32-28(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)65-45-40(62)37(59)41(31(17-53)68-45)69-47-43(71-46-39(61)36(58)34(56)29(15-51)66-46)42(35(57)30(16-52)67-47)70-44-38(60)33(55)27(54)19-63-44/h20-47,51-62H,5-19H2,1-4H3/t20-,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 | BJNQXJIQCPPOHN-BXUXGVDVSA-N |
| Literature Reference Author | X.C.LI,Y.F.WANG,D.Z.WANG,C.R.YANG |
| Literature Reference Citation | PHYTOCHEM.,29,3899(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)85355-J |
| Molecular Weight | 1035.188 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ19529 |