| SpectraBase Compound ID | LlOegbJ2uLc |
|---|---|
| InChI | InChI=1S/C32H44O11/c1-15(34)40-27-23(16-4-7-22(35)39-14-16)31(3)11-9-19-20(32(31)28(27)43-32)6-5-17-12-18(8-10-30(17,19)2)41-29-26(38)25(37)24(36)21(13-33)42-29/h4,7,14,17-21,23-29,33,36-38H,5-6,8-13H2,1-3H3/t17-,18+,19+,20-,21-,23+,24-,25+,26-,27-,28-,29-,30+,31-,32-/m1/s1 |
| InChIKey | LTFQQGPJNXCYAC-XOLQORPISA-N |
| Mol Weight | 604.7 g/mol |
| Molecular Formula | C32H44O11 |
| Exact Mass | 604.288362 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5RgmejGoUBc |
|---|---|
| Name | CINOBUFAGIN-3-O-BETA-D-GLUCOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H44O11 |
| InChI | InChI=1S/C32H44O11/c1-15(34)40-27-23(16-4-7-22(35)39-14-16)31(3)11-9-19-20(32(31)28(27)43-32)6-5-17-12-18(8-10-30(17,19)2)41-29-26(38)25(37)24(36)21(13-33)42-29/h4,7,14,17-21,23-29,33,36-38H,5-6,8-13H2,1-3H3/t17-,18+,19+,20-,21-,23+,24-,25+,26-,27-,28-,29-,30+,31-,32-/m1/s1 |
| InChIKey | LTFQQGPJNXCYAC-XOLQORPISA-N |
| Literature Reference Author | M.YE,J.HAN,H.GUO,D.GUO |
| Literature Reference Citation | MAGN.RES.CHEM.,40,786(2002) |
| Literature Reference DOI | 10.1002/mrc.1105 |
| Molecular Weight | 604.695 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWKP6450 |