| SpectraBase Compound ID | IWYRi207DI1 |
|---|---|
| InChI | InChI=1S/C31H48O6S.Na/c1-21(11-13-24-19-25(32)14-15-27(24)33)9-7-10-23(3)28(37-38(34,35)36)20-26-22(2)12-16-29-30(4,5)17-8-18-31(26,29)6;/h11-12,14-15,19,23,26,28-29,32-33H,7-10,13,16-18,20H2,1-6H3,(H,34,35,36);/q;+1/p-1/b21-11+;/t23-,26+,28-,29+,31-;/m1./s1 |
| InChIKey | MWESFEYZPAHLCJ-NHDYRKAGSA-M |
| Mol Weight | 570.8 g/mol |
| Molecular Formula | C31H47NaO6S |
| Exact Mass | 570.299105 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7NdRHrSzKc2 |
|---|---|
| Name | HALISULFATE-1 |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H47NaO6S |
| InChI | InChI=1S/C31H48O6S.Na/c1-21(11-13-24-19-25(32)14-15-27(24)33)9-7-10-23(3)28(37-38(34,35)36)20-26-22(2)12-16-29-30(4,5)17-8-18-31(26,29)6;/h11-12,14-15,19,23,26,28-29,32-33H,7-10,13,16-18,20H2,1-6H3,(H,34,35,36);/q;+1/p-1/b21-11+;/t23-,26+,28-,29+,31-;/m1./s1 |
| InChIKey | MWESFEYZPAHLCJ-NHDYRKAGSA-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 | 570.760 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRU3836 |