| SpectraBase Compound ID | 4nePZxJfe58 |
|---|---|
| InChI | InChI=1S/C34H50O20/c1-5-13-14(7-21(37)46-3)16(10-48-31(13)53-33-27(42)25(40)23(38)19(8-35)51-33)30(45)50-18-6-15-17(29(44)47-4)11-49-32(22(15)12(18)2)54-34-28(43)26(41)24(39)20(9-36)52-34/h5,10-15,18-28,31-43H,1,6-9H2,2-4H3/t12-,13+,14-,15+,18-,19-,20-,21?,22+,23-,24-,25+,26+,27-,28-,31-,32-,33+,34+/m0/s1 |
| InChIKey | JHDQHGCIJXUMCH-FOSASKDUSA-N |
| Mol Weight | 778.8 g/mol |
| Molecular Formula | C34H50O20 |
| Exact Mass | 778.289544 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LW33xAl46GC |
|---|---|
| Name | CANTLEYOSIDE-METHYL-HEMIACETAL |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H50O20 |
| InChI | InChI=1S/C34H50O20/c1-5-13-14(7-21(37)46-3)16(10-48-31(13)53-33-27(42)25(40)23(38)19(8-35)51-33)30(45)50-18-6-15-17(29(44)47-4)11-49-32(22(15)12(18)2)54-34-28(43)26(41)24(39)20(9-36)52-34/h5,10-15,18-28,31-43H,1,6-9H2,2-4H3/t12-,13+,14-,15+,18-,19-,20-,21?,22+,23-,24-,25+,26+,27-,28-,31-,32-,33+,34+/m0/s1 |
| InChIKey | JHDQHGCIJXUMCH-FOSASKDUSA-N |
| Literature Reference Author | D.GUELCEMAL,M.MASULLO,O.ALANKUS-CALISKAN,T.KARAYILDIRIM,S.G. SENOL,S.PIACENTE |
| Literature Reference Citation | MAGN.RES.CHEM.,48,239(2010) |
| Molecular Weight | 778.759 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWIR16525 |