| SpectraBase Compound ID | 6HVLxNGxtID |
|---|---|
| InChI | InChI=1S/C28H44O4/c1-17-8-13-27(31-16-17)18(2)24-26(4)12-10-22-21(23(26)15-28(24,30-5)32-27)7-6-19-14-20(29)9-11-25(19,22)3/h6,17-18,20-24,29H,7-16H2,1-5H3/t17-,18-,20-,21+,22-,23-,24+,25-,26-,27+,28-/m0/s1 |
| InChIKey | LQIGIHFYLJKHAH-PNBBBGFJSA-N |
| Mol Weight | 444.7 g/mol |
| Molecular Formula | C28H44O4 |
| Exact Mass | 444.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3tCAkaD3xP0 |
|---|---|
| Name | BETHOGENIN=(25R)-16-ALPHA-METHOXY-5-SPIROSTEN-3-BETA-OL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H44O4 |
| InChI | InChI=1S/C28H44O4/c1-17-8-13-27(31-16-17)18(2)24-26(4)12-10-22-21(23(26)15-28(24,30-5)32-27)7-6-19-14-20(29)9-11-25(19,22)3/h6,17-18,20-24,29H,7-16H2,1-5H3/t17-,18-,20-,21+,22-,23-,24+,25-,26-,27+,28-/m0/s1 |
| InChIKey | LQIGIHFYLJKHAH-PNBBBGFJSA-N |
| Literature Reference Author | P.K.AGRAWAL,D.C.JAIN,R.K.GUPTA,R.S.THAKUR |
| Literature Reference Citation | PHYTOCHEM.,24,2479(1985) |
| Literature Reference DOI | 10.1016/S0031-9422(00)80653-6 |
| Molecular Weight | 444.655 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW17067 |