| SpectraBase Compound ID | JhS9TQewA0g |
|---|---|
| InChI | InChI=1S/C21H32O6S/c1-13(22)16-8-11-21(23)18-5-4-14-12-15(27-28(24,25)26)6-9-19(14,2)17(18)7-10-20(16,21)3/h4,15-18,23H,5-12H2,1-3H3,(H,24,25,26)/t15-,16-,17-,18+,19-,20+,21-/m0/s1 |
| InChIKey | ZHKMJFAJAHZHHA-KQDRTDIFSA-N |
| Mol Weight | 412.5 g/mol |
| Molecular Formula | C21H32O6S |
| Exact Mass | 412.19196 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4DfJS6SNqjm |
|---|---|
| Name | OH-14-BETA-PREGN-5-ENOLONE_3-O-SULFATE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H32O6S |
| InChI | InChI=1S/C21H32O6S/c1-13(22)16-8-11-21(23)18-5-4-14-12-15(27-28(24,25)26)6-9-19(14,2)17(18)7-10-20(16,21)3/h4,15-18,23H,5-12H2,1-3H3,(H,24,25,26)/t15-,16-,17-,18+,19-,20+,21-/m0/s1 |
| InChIKey | ZHKMJFAJAHZHHA-KQDRTDIFSA-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 | 412.541 g/mol |
| Sample ID | 35037 |
| Solvent | CD3OD |