| SpectraBase Compound ID | tk8M6v8NNG |
|---|---|
| InChI | InChI=1S/C35H50O9/c1-31(2,40)12-11-29-34(5,44-30(43-29)19-7-8-23(36)27(15-19)42-6)28-10-14-35(41)21-16-24(37)22-17-25(38)26(39)18-32(22,3)20(21)9-13-33(28,35)4/h7-8,15-16,20,22,25-26,28-30,36,38-41H,9-14,17-18H2,1-6H3/t20-,22-,25+,26-,28-,29+,30-,32+,33+,34+,35+/m0/s1 |
| InChIKey | GWGFWRYORLSQLF-IAPRLUFESA-N |
| Mol Weight | 614.8 g/mol |
| Molecular Formula | C35H50O9 |
| Exact Mass | 614.345483 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CkFEL9j5Jh0 |
|---|---|
| Name | 29-BETA-(3-METHOXY-4-HYDROXYPHENYL)-20,22-O-METHYLIDENE-20-HYDROXY-ECDYSONE |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H50O9 |
| InChI | InChI=1S/C35H50O9/c1-31(2,40)12-11-29-34(5,44-30(43-29)19-7-8-23(36)27(15-19)42-6)28-10-14-35(41)21-16-24(37)22-17-25(38)26(39)18-32(22,3)20(21)9-13-33(28,35)4/h7-8,15-16,20,22,25-26,28-30,36,38-41H,9-14,17-18H2,1-6H3/t20-,22-,25+,26-,28-,29+,30-,32+,33+,34+,35+/m0/s1 |
| InChIKey | GWGFWRYORLSQLF-IAPRLUFESA-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 | 614.777 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWIR9986 |