| SpectraBase Compound ID | JWmgPxpiSb3 |
|---|---|
| InChI | InChI=1S/C37H52O7/c1-33(2,41)17-16-31-36(5,44-32(43-31)13-9-12-23-10-7-6-8-11-23)30-15-19-37(42)25-20-27(38)26-21-28(39)29(40)22-34(26,3)24(25)14-18-35(30,37)4/h6-11,13,20,24,26,28-32,39-42H,12,14-19,21-22H2,1-5H3/b13-9+/t24-,26-,28+,29-,30-,31+,32+,34+,35+,36+,37+/m0/s1 |
| InChIKey | ADRZUQIMYKHJEY-WYXVYNQISA-N |
| Mol Weight | 608.8 g/mol |
| Molecular Formula | C37H52O7 |
| Exact Mass | 608.371304 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4BUFBrOMwMe |
|---|---|
| Name | 29-ALPHA-(E)-ETHENYLBENZYL-20,22-O-METHYLIDENE-20-HYDROXY-ECDYSONE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H52O7 |
| InChI | InChI=1S/C37H52O7/c1-33(2,41)17-16-31-36(5,44-32(43-31)13-9-12-23-10-7-6-8-11-23)30-15-19-37(42)25-20-27(38)26-21-28(39)29(40)22-34(26,3)24(25)14-18-35(30,37)4/h6-11,13,20,24,26,28-32,39-42H,12,14-19,21-22H2,1-5H3/b13-9+/t24-,26-,28+,29-,30-,31+,32+,34+,35+,36+,37+/m0/s1 |
| InChIKey | ADRZUQIMYKHJEY-WYXVYNQISA-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 | 608.816 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWIR9976 |