| SpectraBase Compound ID | 5grjiKOUTdk |
|---|---|
| InChI | InChI=1S/C33H54O7/c1-19(2)17-31(7)39-27(11-12-28(3,4)37)32(8,40-31)26-10-14-33(38)21-15-23(34)22-16-24(35)25(36)18-29(22,5)20(21)9-13-30(26,33)6/h15,19-20,22,24-27,35-38H,9-14,16-18H2,1-8H3/t20-,22-,24+,25-,26-,27+,29+,30+,31+,32+,33+/m0/s1 |
| InChIKey | LZOSSQRKEQLWOC-YEQKZJFMSA-N |
| Mol Weight | 562.8 g/mol |
| Molecular Formula | C33H54O7 |
| Exact Mass | 562.386954 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IB8qexuCbzH |
|---|---|
| Name | 29-ALPHA-ISO-BUTYL-29-BETA-METHYL-20,22-O-METHYLIDENE-20-HYDROXY-ECDYSONE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H54O7 |
| InChI | InChI=1S/C33H54O7/c1-19(2)17-31(7)39-27(11-12-28(3,4)37)32(8,40-31)26-10-14-33(38)21-15-23(34)22-16-24(35)25(36)18-29(22,5)20(21)9-13-30(26,33)6/h15,19-20,22,24-27,35-38H,9-14,16-18H2,1-8H3/t20-,22-,24+,25-,26-,27+,29+,30+,31+,32+,33+/m0/s1 |
| InChIKey | LZOSSQRKEQLWOC-YEQKZJFMSA-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 | 562.788 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWIR9972 |