| SpectraBase Compound ID | KrkH5j0Y6HW |
|---|---|
| InChI | InChI=1S/C39H64O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-35-33(46)31(44)34(27(16-41)50-35)51-36-32(45)30(43)29(42)26(15-40)49-36/h18-36,40-46H,5-17H2,1-4H3/t18-,19-,20-,21-,22+,23-,24-,25-,26-,27+,28-,29-,30+,31+,32-,33+,34+,35+,36+,37-,38-,39+/m0/s1 |
| InChIKey | GUSVHVVOABZHAH-QOKZBJKCSA-N |
| Mol Weight | 740.9 g/mol |
| Molecular Formula | C39H64O13 |
| Exact Mass | 740.434692 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ALzG4qYrLsU |
|---|---|
| Name | TIGOGENIN_3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 9B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H64O13 |
| InChI | InChI=1S/C39H64O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-35-33(46)31(44)34(27(16-41)50-35)51-36-32(45)30(43)29(42)26(15-40)49-36/h18-36,40-46H,5-17H2,1-4H3/t18-,19-,20-,21-,22+,23-,24-,25-,26-,27+,28-,29-,30+,31+,32-,33+,34+,35+,36+,37-,38-,39+/m0/s1 |
| InChIKey | GUSVHVVOABZHAH-QOKZBJKCSA-N |
| Literature Reference Author | K.ORI,Y.MIMAKI,K.MITO,Y.SASHIDA,T.NIKAIDO,T.OHMOTO,A.MASUKO |
| Literature Reference Citation | PHYTOCHEM.,31,2767(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)83627-B |
| Molecular Weight | 740.929 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ23190 |