| SpectraBase Compound ID | CJN2DjRFtO1 |
|---|---|
| InChI | InChI=1S/C31H46O6S.Na/c1-22(10-13-25-20-26(32)14-16-28(25)33)8-6-9-24(21-37-38(34,35)36)12-15-27-23(2)11-17-29-30(3,4)18-7-19-31(27,29)5;/h10-11,14,16,20-21,27,29,32-33H,6-9,12-13,15,17-19H2,1-5H3,(H,34,35,36);/q;+1/p-1/b22-10+,24-21+;/t27-,29-,31+;/m0./s1 |
| InChIKey | WDKISAGIVBWFSX-OXNJZHSRSA-M |
| Mol Weight | 568.7 g/mol |
| Molecular Formula | C31H45NaO6S |
| Exact Mass | 568.283455 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4aRRNH2CQmm |
|---|---|
| Name | HIPPOSULFATE-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H45NaO6S |
| InChI | InChI=1S/C31H46O6S.Na/c1-22(10-13-25-20-26(32)14-16-28(25)33)8-6-9-24(21-37-38(34,35)36)12-15-27-23(2)11-17-29-30(3,4)18-7-19-31(27,29)5;/h10-11,14,16,20-21,27,29,32-33H,6-9,12-13,15,17-19H2,1-5H3,(H,34,35,36);/q;+1/p-1/b22-10+,24-21+;/t27-,29-,31+;/m0./s1 |
| InChIKey | WDKISAGIVBWFSX-OXNJZHSRSA-M |
| Literature Reference Author | M.MUSMAN,I.I.OHTANI,D.NAGAOKA,J.TANAKA,T.HIGA |
| Literature Reference Citation | J.NAT.PROD.,64,350(2001) |
| Literature Reference DOI | 10.1021/np000060i |
| Molecular Weight | 568.744 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRU3834 |