| SpectraBase Compound ID | HcqQZf5z3Kp |
|---|---|
| InChI | InChI=1S/C35H54O15/c1-6-9-11-44-26(45-12-10-7-2)14-20-19(8-3)34(50-35-30(39)29(38)28(37)25(15-36)49-35)47-17-22(20)32(41)48-24-13-21-23(31(40)43-5)16-46-33(42)27(21)18(24)4/h8,16-21,24-30,33-39,42H,3,6-7,9-15H2,1-2,4-5H3/t18-,19+,20-,21+,24-,25-,27+,28-,29+,30-,33+,34-,35+/m0/s1 |
| InChIKey | CJADCRRDINCCOE-LFQJALQOSA-N |
| Mol Weight | 714.8 g/mol |
| Molecular Formula | C35H54O15 |
| Exact Mass | 714.346271 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1P4wNNsDmWf |
|---|---|
| Name | PTEROCESIDE-A;SYLVESTROSIDE-III-7-DIBUTYL-ACETAL |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H54O15 |
| InChI | InChI=1S/C35H54O15/c1-6-9-11-44-26(45-12-10-7-2)14-20-19(8-3)34(50-35-30(39)29(38)28(37)25(15-36)49-35)47-17-22(20)32(41)48-24-13-21-23(31(40)43-5)16-46-33(42)27(21)18(24)4/h8,16-21,24-30,33-39,42H,3,6-7,9-15H2,1-2,4-5H3/t18-,19+,20-,21+,24-,25-,27+,28-,29+,30-,33+,34-,35+/m0/s1 |
| InChIKey | CJADCRRDINCCOE-LFQJALQOSA-N |
| Literature Reference Author | Y.WU,Y.YIN,Y.LI,F.GUO,G.ZHU |
| Literature Reference Citation | MAGN.RES.CHEM.,52,734(2014) |
| Literature Reference DOI | 10.1002/mrc.4116 |
| Molecular Weight | 714.805 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWBT15820 |