| SpectraBase Compound ID | 9hkfYJ6qgew |
|---|---|
| InChI | InChI=1S/C35H52O14/c1-33-8-5-18(46-32-30(28(42)26(40)23(14-37)48-32)49-31-29(43)27(41)25(39)22(13-36)47-31)12-17(33)3-4-21-20(33)6-9-34(2)19(7-10-35(21,34)44)16-11-24(38)45-15-16/h3,11,18-23,25-32,36-37,39-44H,4-10,12-15H2,1-2H3/t18-,19-,20-,21+,22+,23+,25+,26+,27-,28-,29+,30+,31?,32+,33-,34+,35+/m0/s1 |
| InChIKey | BPYRVOCFRMKMIP-CXTYIOLQSA-N |
| Mol Weight | 696.8 g/mol |
| Molecular Formula | C35H52O14 |
| Exact Mass | 696.335706 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JGlVbCJRGxa |
|---|---|
| Name | ALLOXYSMALORIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H52O14 |
| InChI | InChI=1S/C35H52O14/c1-33-8-5-18(46-32-30(28(42)26(40)23(14-37)48-32)49-31-29(43)27(41)25(39)22(13-36)47-31)12-17(33)3-4-21-20(33)6-9-34(2)19(7-10-35(21,34)44)16-11-24(38)45-15-16/h3,11,18-23,25-32,36-37,39-44H,4-10,12-15H2,1-2H3/t18-,19-,20-,21+,22+,23+,25+,26+,27-,28-,29+,30+,31?,32+,33-,34+,35+/m0/s1 |
| InChIKey | BPYRVOCFRMKMIP-CXTYIOLQSA-N |
| Literature Reference Author | M.GHORBANI,M.KALOGA,H.-H.FREY,G.MAYER,E.EICH |
| Literature Reference Citation | PLANTA.MED.,63,343(1997) |
| Literature Reference DOI | 10.1055/s-2006-957697 |
| Molecular Weight | 696.789 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UIAP961 |