![(E)-2-DEOXY-20-HYDROXY-ECDYSONE-3-[4-(1-BETA-D-GLUCOPYRANOSYL)]-CAFFEATE](/api/spectrum/C1fJHRwmojV/structure.png?h=300&w=458 "(E)-2-DEOXY-20-HYDROXY-ECDYSONE-3-[4-(1-BETA-D-GLUCOPYRANOSYL)]-CAFFEATE")
| SpectraBase Compound ID | 1oAdf9HSxZA |
|---|---|
| InChI | InChI=1S/C42H60O14/c1-38(2,51)14-13-32(46)41(5,52)31-12-17-42(53)25-20-27(44)26-19-23(10-15-39(26,3)24(25)11-16-40(31,42)4)54-33(47)9-7-22-6-8-29(28(45)18-22)55-37-36(50)35(49)34(48)30(21-43)56-37/h6-9,18,20,23-24,26,30-32,34-37,43,45-46,48-53H,10-17,19,21H2,1-5H3/b9-7+/t23-,24-,26-,30-,31-,32+,34-,35+,36-,37-,39+,40+,41-,42+/m0/s1 |
| InChIKey | NMXNBBASNVMDAZ-RTUGCROPSA-N |
| Mol Weight | 788.9 g/mol |
| Molecular Formula | C42H60O14 |
| Exact Mass | 788.398307 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C1fJHRwmojV |
|---|---|
| Name | (E)-2-DEOXY-20-HYDROXY-ECDYSONE-3-[4-(1-BETA-D-GLUCOPYRANOSYL)]-CAFFEATE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H60O14 |
| InChI | InChI=1S/C42H60O14/c1-38(2,51)14-13-32(46)41(5,52)31-12-17-42(53)25-20-27(44)26-19-23(10-15-39(26,3)24(25)11-16-40(31,42)4)54-33(47)9-7-22-6-8-29(28(45)18-22)55-37-36(50)35(49)34(48)30(21-43)56-37/h6-9,18,20,23-24,26,30-32,34-37,43,45-46,48-53H,10-17,19,21H2,1-5H3/b9-7+/t23-,24-,26-,30-,31-,32+,34-,35+,36-,37-,39+,40+,41-,42+/m0/s1 |
| InChIKey | NMXNBBASNVMDAZ-RTUGCROPSA-N |
| Literature Reference Author | R.HO,J.P.GIRAULT,P.RAHARIVELOMANANA,R.LAFONT |
| Literature Reference Citation | MOLECULES,17,11598(2012) |
| Literature Reference DOI | 10.3390/molecules171011598 |
| Molecular Weight | 788.930 g/mol |
| Sample ID | 824 |
| Solvent | CD3OD |