| SpectraBase Compound ID | 5j6eKCe6cjC |
|---|---|
| InChI | InChI=1S/C20H30O10S2/c1-12-4-5-16-19(2,8-6-17(20(16,3)11-21)30-32(26,27)28)14(12)10-15(31(23,24)25)13-7-9-29-18(13)22/h7,14-17,21H,1,4-6,8-11H2,2-3H3,(H,23,24,25)(H,26,27,28)/t14-,15+,16+,17-,19+,20+/m1/s1 |
| InChIKey | SUSDBJRITZSWAU-XWIHJEQYSA-N |
| Mol Weight | 494.57 g/mol |
| Molecular Formula | C20H30O10S2 |
| Exact Mass | 494.12804 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9lM4fR1cmGX |
|---|---|
| Name | 14-DEOXY-(12R)-SULFO-ANDROGRAPHOLIDE-3-SULFATE |
| Compound Number | M-5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H30O10S2 |
| InChI | InChI=1S/C20H30O10S2/c1-12-4-5-16-19(2,8-6-17(20(16,3)11-21)30-32(26,27)28)14(12)10-15(31(23,24)25)13-7-9-29-18(13)22/h7,14-17,21H,1,4-6,8-11H2,2-3H3,(H,23,24,25)(H,26,27,28)/t14-,15+,16+,17-,19+,20+/m1/s1 |
| InChIKey | SUSDBJRITZSWAU-XWIHJEQYSA-N |
| Literature Reference Author | X.HE,J.LI,H.GAO,F.QIU,X.CUI,X.YAO |
| Literature Reference Citation | CHEM.PHARM.BULL.,51,586(2003) |
| Literature Reference DOI | 10.1248/cpb.51.586 |
| Molecular Weight | 494.572 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS21403 |