| SpectraBase Compound ID | IqPSnEYcTMj |
|---|---|
| InChI | InChI=1S/C21H26F2O4S/c1-10-6-12-13-8-15(22)14-7-11(24)4-5-18(14,2)20(13,23)16(25)9-19(12,3)21(10,27)17(26)28/h4-5,7,10,12-13,15-16,25,27H,6,8-9H2,1-3H3,(H,26,28)/t10-,12+,13+,15+,16+,18+,19+,20+,21+/m1/s1 |
| InChIKey | GLAJUXBOZSWZMM-IDIDPBNYSA-N |
| Mol Weight | 412.49 g/mol |
| Molecular Formula | C21H26F2O4S |
| Exact Mass | 412.151987 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EPyP1E43QND |
|---|---|
| Name | ANDROSTA-1,4-DIENE-6-ALPHA,9-ALPHA-DIFLUORO-11-BETA,21-DIHYDROXY-16-ALPHA-METHYL-3-OXO-17-CARBOTHIONIC-ACID |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H26F2O4S |
| InChI | InChI=1S/C21H26F2O4S/c1-10-6-12-13-8-15(22)14-7-11(24)4-5-18(14,2)20(13,23)16(25)9-19(12,3)21(10,27)17(26)28/h4-5,7,10,12-13,15-16,25,27H,6,8-9H2,1-3H3,(H,26,28)/t10-,12+,13+,15+,16+,18+,19+,20+,21+/m1/s1 |
| InChIKey | GLAJUXBOZSWZMM-IDIDPBNYSA-N |
| Literature Reference Author | S.A.CARSS,R.K.HARRIS,R.A.FLETTON |
| Literature Reference Citation | MAGN.RES.CHEM.,33,501(1995) |
| Literature Reference DOI | 10.1002/mrc.1260330702 |
| Molecular Weight | 412.492 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCS20229 |