| SpectraBase Compound ID | KEKnwNlHFG0 |
|---|---|
| InChI | InChI=1S/C35H56O7/c1-8-10-29-39-25-19-23-24(36)18-22-21(32(23,5)20-26(25)40-29)12-16-33(6)27(13-17-35(22,33)38)34(7)28(14-15-31(3,4)37)41-30(42-34)11-9-2/h18,21,23,25-30,37-38H,8-17,19-20H2,1-7H3/t21-,23-,25+,26-,27-,28+,29+,30+,32+,33+,34+,35+/m0/s1 |
| InChIKey | KRUIHTNGSOQIRE-ZKHBPNKNSA-N |
| Mol Weight | 588.8 g/mol |
| Molecular Formula | C35H56O7 |
| Exact Mass | 588.402604 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1hORnWrYeqL |
|---|---|
| Name | 20-HYDROXY-ECDYSONE-2,3;20,22-BIS-BUTYLIDENE-ACETAL |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H56O7 |
| InChI | InChI=1S/C35H56O7/c1-8-10-29-39-25-19-23-24(36)18-22-21(32(23,5)20-26(25)40-29)12-16-33(6)27(13-17-35(22,33)38)34(7)28(14-15-31(3,4)37)41-30(42-34)11-9-2/h18,21,23,25-30,37-38H,8-17,19-20H2,1-7H3/t21-,23-,25+,26-,27-,28+,29+,30+,32+,33+,34+,35+/m0/s1 |
| InChIKey | KRUIHTNGSOQIRE-ZKHBPNKNSA-N |
| Literature Reference Author | A.BALAZS,A.HUNYADI,J.CSABI,N.JEDLINSZKI,A.MARTINS,A.SIMON,G. TOTH |
| Literature Reference Citation | MAGN.RES.CHEM.,51,830(2013) |
| Literature Reference DOI | 10.1002/mrc.4015 |
| Molecular Weight | 588.825 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWIR13286 |