| SpectraBase Compound ID | JS99ABzwuXh |
|---|---|
| InChI | InChI=1S/C20H30O7S/c1-12-4-5-16-19(2,8-6-17(22)20(16,3)11-21)14(12)10-15(28(24,25)26)13-7-9-27-18(13)23/h7,14-17,21-22H,1,4-6,8-11H2,2-3H3,(H,24,25,26)/t14-,15-,16+,17-,19+,20+/m1/s1 |
| InChIKey | LCOXPNVKZBRGJS-UQZPWQSVSA-N |
| Mol Weight | 414.51 g/mol |
| Molecular Formula | C20H30O7S |
| Exact Mass | 414.171224 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Dm8fl9PiVa |
|---|---|
| Name | 14-DEOXY-(12R)-SULFO-ANDROGRAPHOLIDE |
| Compound Number | M1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H30O7S |
| InChI | InChI=1S/C20H30O7S/c1-12-4-5-16-19(2,8-6-17(22)20(16,3)11-21)14(12)10-15(28(24,25)26)13-7-9-27-18(13)23/h7,14-17,21-22H,1,4-6,8-11H2,2-3H3,(H,24,25,26)/t14-,15-,16+,17-,19+,20+/m1/s1 |
| InChIKey | LCOXPNVKZBRGJS-UQZPWQSVSA-N |
| Literature Reference Author | X.HE,J.LI,H.GAO,F.QIU,K.HU,X.CUI,X.YAO |
| Literature Reference Citation | DRUG.MET.DISP.,31,983(2003) |
| Literature Reference DOI | 10.1124/dmd.31.8.983 |
| Molecular Weight | 414.514 g/mol |
| Source File Reference | UWLU74295 |