| SpectraBase Compound ID | C9shV7yd2Js |
|---|---|
| InChI | InChI=1S/C27H44O5/c1-14-7-10-27(31-13-14)15(2)22-21(32-27)11-19-16-5-6-18-23(29)24(30)20(28)12-26(18,4)17(16)8-9-25(19,22)3/h14-24,28-30H,5-13H2,1-4H3/t14-,15+,16-,17+,18-,19+,20+,21+,22+,23-,24-,25+,26-,27-/m1/s1 |
| InChIKey | LLBKWFWTEWVDKM-ZJVUSWLDSA-N |
| Mol Weight | 448.6 g/mol |
| Molecular Formula | C27H44O5 |
| Exact Mass | 448.318875 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JjZ77bf56oS |
|---|---|
| Name | Isodiotigenin |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C27H44O5/c1-14-7-10-27(31-13-14)15(2)22-21(32-27)11-19-16-5-6-18-23(29)24(30)20(28)12-26(18,4)17(16)8-9-25(19,22)3/h14-24,28-30H,5-13H2,1-4H3/t14-,15+,16-,17+,18-,19+,20+,21+,22+,23-,24-,25+,26-,27-/m1/s1 |
| InChIKey | LLBKWFWTEWVDKM-ZJVUSWLDSA-N |
| Literature Reference | P.K.AGRAWAL,D.C.JAIN,R.K.GUPTA,R.S.THAKUR PHYTOCHEM.,24,2479(1985) |
| Solvent | Chloroform-d |