| SpectraBase Compound ID | 4qfiuUM35LQ |
|---|---|
| InChI | InChI=1S/C21H30O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,7,15-17,19H,5-6,8-12H2,1-3H3,(H,23,24,25)/t15-,16-,17+,19-,20-,21+/m0/s1 |
| InChIKey | GVEZPTBEHARBMD-LZQVICCCSA-N |
| Mol Weight | 394.53 g/mol |
| Molecular Formula | C21H30O5S |
| Exact Mass | 394.181395 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6tIZDtuZYgv |
|---|---|
| Name | PREGNA-5,14-DIENOLONE_3-O-SULFATE |
| Compound Number | 6A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H30O5S |
| InChI | InChI=1S/C21H30O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,7,15-17,19H,5-6,8-12H2,1-3H3,(H,23,24,25)/t15-,16-,17+,19-,20-,21+/m0/s1 |
| InChIKey | GVEZPTBEHARBMD-LZQVICCCSA-N |
| Literature Reference Author | G.F.PAULI,J.B.FRIESEN,T.GOEDECKE,N.R.FARNSWORTH,B.GLODNY |
| Literature Reference Citation | J.NAT.PROD.,73,338(2010) |
| Literature Reference DOI | 10.1021/np9007415 |
| Molecular Weight | 394.526 g/mol |
| Sample ID | 35035 |
| Solvent | CD3OD |