| SpectraBase Compound ID | FPj0HfDLnRx |
|---|---|
| InChI | InChI=1S/C38H54O7/c1-32(2,40)17-16-31-36(7,45-37(8,44-31)23-12-10-9-11-13-23)30-15-19-38(41)25-20-27(39)26-21-28-29(43-33(3,4)42-28)22-34(26,5)24(25)14-18-35(30,38)6/h9-13,20,24,26,28-31,40-41H,14-19,21-22H2,1-8H3/t24-,26-,28+,29-,30-,31+,34+,35+,36+,37+,38+/m0/s1 |
| InChIKey | MPSXEFKNUYIMRA-CQAVGXOTSA-N |
| Mol Weight | 622.8 g/mol |
| Molecular Formula | C38H54O7 |
| Exact Mass | 622.386954 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GE3IcfxizV5 |
|---|---|
| Name | 28,28,29-BETA-TRIMETHYL-29-ALPHA-PHENYL-2,3;20,22-BIS-O-METHYLIDENE-20-HYDROXY-ECDYSONE |
| Compound Number | 32 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H54O7 |
| InChI | InChI=1S/C38H54O7/c1-32(2,40)17-16-31-36(7,45-37(8,44-31)23-12-10-9-11-13-23)30-15-19-38(41)25-20-27(39)26-21-28-29(43-33(3,4)42-28)22-34(26,5)24(25)14-18-35(30,38)6/h9-13,20,24,26,28-31,40-41H,14-19,21-22H2,1-8H3/t24-,26-,28+,29-,30-,31+,34+,35+,36+,37+,38+/m0/s1 |
| InChIKey | MPSXEFKNUYIMRA-CQAVGXOTSA-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 | 622.843 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWIR9990 |