![TIGOGENIN-3-O-XYLOPYRANOSYL-(1->3)-[GLUCOPYRANOSYL-(1->4)]-GLUCOPYRANOSYL-(1->3)-BETA-D-GALACTOPYRANOSID](/api/spectrum/DIWpWlSQViW/structure.png?h=300&w=458 "TIGOGENIN-3-O-XYLOPYRANOSYL-(1->3)-[GLUCOPYRANOSYL-(1->4)]-GLUCOPYRANOSYL-(1->3)-BETA-D-GALACTOPYRANOSID")
| SpectraBase Compound ID | HDJ9vz0wQ24 |
|---|---|
| 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)65-46-39(61)42(35(57)30(16-52)67-46)70-47-40(62)43(71-44-37(59)33(55)27(54)19-63-44)41(31(17-53)68-47)69-45-38(60)36(58)34(56)29(15-51)66-45/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 | ZGCQVACAAOFDKG-BKYCXCNLSA-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 | DIWpWlSQViW |
|---|---|
| Name | TIGOGENIN-3-O-XYLOPYRANOSYL-(1->3)-[GLUCOPYRANOSYL-(1->4)]-GLUCOPYRANOSYL-(1->3)-BETA-D-GALACTOPYRANOSID |
| 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)65-46-39(61)42(35(57)30(16-52)67-46)70-47-40(62)43(71-44-37(59)33(55)27(54)19-63-44)41(31(17-53)68-47)69-45-38(60)36(58)34(56)29(15-51)66-45/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 | ZGCQVACAAOFDKG-BKYCXCNLSA-N |
| Literature Reference Author | P.K.AGRAWAL,D.C.JAIN,R.K.GUPTA,R.S.THAKUR |
| Literature Reference Citation | PHYTOCHEM.,24,2479(1985) |
| Literature Reference DOI | 10.1016/S0031-9422(00)80653-6 |
| Molecular Weight | 1035.188 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UNIW17151 |