| SpectraBase Compound ID | 1aCMToSSs3r |
|---|---|
| InChI | InChI=1S/C36H58O7/c1-21(2)19-34(9)42-29(13-14-30(3,4)38)35(10,43-34)28-12-16-36(39)23-17-25(37)24-18-26-27(41-31(5,6)40-26)20-32(24,7)22(23)11-15-33(28,36)8/h17,21-22,24,26-29,38-39H,11-16,18-20H2,1-10H3/t22-,24-,26+,27-,28-,29+,32+,33+,34+,35+,36+/m0/s1 |
| InChIKey | MKCUINRLWKOKHZ-ULRGAFLASA-N |
| Mol Weight | 602.9 g/mol |
| Molecular Formula | C36H58O7 |
| Exact Mass | 602.418254 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4MT6JpcqSPs |
|---|---|
| Name | 28,28,29-BETA-TRIMETHYL-29-ALPHA-ISO-BUTYL-2,3;20,22-BIS-O-METHYLIDENE-20-HYDROXY-ECDYSONE |
| Compound Number | 30 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H58O7 |
| InChI | InChI=1S/C36H58O7/c1-21(2)19-34(9)42-29(13-14-30(3,4)38)35(10,43-34)28-12-16-36(39)23-17-25(37)24-18-26-27(41-31(5,6)40-26)20-32(24,7)22(23)11-15-33(28,36)8/h17,21-22,24,26-29,38-39H,11-16,18-20H2,1-10H3/t22-,24-,26+,27-,28-,29+,32+,33+,34+,35+,36+/m0/s1 |
| InChIKey | MKCUINRLWKOKHZ-ULRGAFLASA-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 | 602.852 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWIR9974 |