| SpectraBase Compound ID | CadQA80Qm0s |
|---|---|
| InChI | InChI=1S/C33H54O9/c1-18(7-6-11-30(2,3)42-29-28(39)27(38)26(37)25(17-34)41-29)20-10-14-33(40)22-16-24(36)23-15-19(35)8-12-31(23,4)21(22)9-13-32(20,33)5/h16,18-21,23,25-29,34-35,37-40H,6-15,17H2,1-5H3/t18-,19+,20-,21+,23+,25-,26-,27+,28-,29+,31-,32-,33-/m1/s1 |
| InChIKey | DFNYUIZVXGEUPJ-LJPSFWCPSA-N |
| Mol Weight | 594.8 g/mol |
| Molecular Formula | C33H54O9 |
| Exact Mass | 594.376783 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3XMMMY0n7UJ |
|---|---|
| Name | 2,22-DIDEOXY-ECDYSONE-25-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H54O9 |
| InChI | InChI=1S/C33H54O9/c1-18(7-6-11-30(2,3)42-29-28(39)27(38)26(37)25(17-34)41-29)20-10-14-33(40)22-16-24(36)23-15-19(35)8-12-31(23,4)21(22)9-13-32(20,33)5/h16,18-21,23,25-29,34-35,37-40H,6-15,17H2,1-5H3/t18-,19+,20-,21+,23+,25-,26-,27+,28-,29+,31-,32-,33-/m1/s1 |
| InChIKey | DFNYUIZVXGEUPJ-LJPSFWCPSA-N |
| Literature Reference Author | P.WANG,S.LI,S.OWNBY,Z.ZHANG,W.YUAN,W.ZHANG,R.S.BEASLEY |
| Literature Reference Citation | PHYTOCHEM.,70,430(2009) |
| Literature Reference DOI | 10.1016/j.phytochem.2009.01.017 |
| Molecular Weight | 594.786 g/mol |
| Sample ID | 64570 |
| Solvent | CD3OD |