| SpectraBase Compound ID | GWTFgyVIWdz |
|---|---|
| InChI | InChI=1S/C29H38O10/c1-15-9-22(31)29(35)24(37-15)38-20-10-16-3-4-19-18(26(16,14-30)12-21(20)39-29)5-6-25(2)27(33,7-8-28(19,25)34)17-11-23(32)36-13-17/h4,11,14-16,18,20-22,24,31,33-35H,3,5-10,12-13H2,1-2H3/t15-,16+,18?,20-,21-,22+,24+,25-,26-,27+,28+,29+/m1/s1 |
| InChIKey | RYEOKXANUSZQJN-QAJVFFAOSA-N |
| Mol Weight | 546.6 g/mol |
| Molecular Formula | C29H38O10 |
| Exact Mass | 546.246497 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FH4L7xACk9I |
|---|---|
| Name | 17-ALPHA-HYDROXY-7,8-DEHYDROCALOTROPIN |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H38O10 |
| InChI | InChI=1S/C29H38O10/c1-15-9-22(31)29(35)24(37-15)38-20-10-16-3-4-19-18(26(16,14-30)12-21(20)39-29)5-6-25(2)27(33,7-8-28(19,25)34)17-11-23(32)36-13-17/h4,11,14-16,18,20-22,24,31,33-35H,3,5-10,12-13H2,1-2H3/t15-,16+,18?,20-,21-,22+,24+,25-,26-,27+,28+,29+/m1/s1 |
| InChIKey | RYEOKXANUSZQJN-QAJVFFAOSA-N |
| Literature Reference Author | N.S.ABDEL-AZIM,F.M.HAMMOUDA,D.HUNKLER,H.RIMPLER |
| Literature Reference Citation | PHYTOCHEM.,42,523(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00940-X |
| Molecular Weight | 546.615 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU3410 |