| SpectraBase Compound ID | Ermi4LIZf22 |
|---|---|
| InChI | InChI=1S/C29H46O4/c1-17-8-13-29(31-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)30)9-11-27(20,4)23(22)10-12-28(24,26)5/h17-18,20-26H,6-16H2,1-5H3/t17-,18-,20-,21-,22+,23-,24-,25-,26-,27-,28-,29+/m0/s1 |
| InChIKey | LVRAKYNQYKVPIK-JNYAGXOFSA-N |
| Mol Weight | 458.7 g/mol |
| Molecular Formula | C29H46O4 |
| Exact Mass | 458.33961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EGPRLPTG1wh |
|---|---|
| Name | TIGOGENIN-ACETAT=(25R)-3-BETA-ACETOXY-5-ALPHA-SPIROSTAN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H46O4 |
| InChI | InChI=1S/C29H46O4/c1-17-8-13-29(31-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)30)9-11-27(20,4)23(22)10-12-28(24,26)5/h17-18,20-26H,6-16H2,1-5H3/t17-,18-,20-,21-,22+,23-,24-,25-,26-,27-,28-,29+/m0/s1 |
| InChIKey | LVRAKYNQYKVPIK-JNYAGXOFSA-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 | 458.682 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW17125 |