| SpectraBase Compound ID | 6iqMuaMi3w6 |
|---|---|
| InChI | InChI=1S/C35H56O7/c1-10-32(7)39-25-19-23-24(36)18-22-21(30(23,5)20-26(25)40-32)12-16-31(6)27(13-17-35(22,31)38)34(9)28(14-15-29(3,4)37)41-33(8,11-2)42-34/h18,21,23,25-28,37-38H,10-17,19-20H2,1-9H3/t21-,23-,25+,26-,27-,28+,30+,31+,32-,33+,34+,35+/m0/s1 |
| InChIKey | FESPYCKPOIXEIG-BVWGCMLVSA-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 | HMFn3Aqw62d |
|---|---|
| Name | 28-ALPHA,29-ALPHA-DIETHYL-28-BETA,29-BETA-DIMETHYL-2,3;20,22-BIS-O-METHYLIDENE-20-HYDROXY-ECDYSONE |
| Compound Number | 17 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H56O7 |
| InChI | InChI=1S/C35H56O7/c1-10-32(7)39-25-19-23-24(36)18-22-21(30(23,5)20-26(25)40-32)12-16-31(6)27(13-17-35(22,31)38)34(9)28(14-15-29(3,4)37)41-33(8,11-2)42-34/h18,21,23,25-28,37-38H,10-17,19-20H2,1-9H3/t21-,23-,25+,26-,27-,28+,30+,31+,32-,33+,34+,35+/m0/s1 |
| InChIKey | FESPYCKPOIXEIG-BVWGCMLVSA-N |
| Literature Reference Author | A.MARTINS,J.CSABI,A.BALAZS,D.KITKA,L.AMARAL,J.MOLNAR,A.SIMON ,G.TOTH,A.HUNYADI |
| Literature Reference Citation | MOLECULES,18,15255(2013) |
| Literature Reference DOI | 10.3390/molecules181215255 |
| Molecular Weight | 588.825 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWIR9981 |