| SpectraBase Compound ID | AObifoJuV6Y |
|---|---|
| InChI | InChI=1S/2C21H30O3/c2*1-12(22)14-4-5-15-13-6-11-21-18(24-21)17(23)8-10-20(21,3)16(13)7-9-19(14,15)2/h2*13-16,18H,4-11H2,1-3H3/t13-,14+,15-,16-,18+,19+,20+,21+;13-,14+,15-,16-,18-,19+,20+,21-/m00/s1 |
| InChIKey | JREVJLFXZOXGHY-DZUGTGTMSA-N |
| Mol Weight | 660.94 g/mol |
| Molecular Formula | C42H60O6 |
| Exact Mass | 660.43899 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9NMh0c8mG5B |
|---|---|
| Name | 4-ALPHA/BETA,5-EPOXYPREGNANE-3,20-DIONE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H60O6 |
| InChI | InChI=1S/2C21H30O3/c2*1-12(22)14-4-5-15-13-6-11-21-18(24-21)17(23)8-10-20(21,3)16(13)7-9-19(14,15)2/h2*13-16,18H,4-11H2,1-3H3/t13-,14+,15-,16-,18+,19+,20+,21+;13-,14+,15-,16-,18-,19+,20+,21-/m00/s1 |
| InChIKey | JREVJLFXZOXGHY-DZUGTGTMSA-N |
| Literature Reference Author | M.HAASE-HELD,M.HATZIS,J.MANN |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,2907(1993) |
| Literature Reference DOI | 10.1039/p19930002907 |
| Molecular Weight | 660.935 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS18948 |