| SpectraBase Compound ID | 8f9mdzwTl3p |
|---|---|
| InChI | InChI=1S/C25H40O5S/c1-19-10-11-22-23(9-6-14-24(22,2)3)25(19,4)15-12-20(18-30-31(26,27)28)7-5-8-21-13-16-29-17-21/h9,13,16-17,19-20,22H,5-8,10-12,14-15,18H2,1-4H3,(H,26,27,28)/p-1/t19-,20?,22-,25-/m1/s1 |
| InChIKey | OYRXLPLXKXDHJP-MBHHTPPASA-M |
| Mol Weight | 451.6 g/mol |
| Molecular Formula | C25H39O5S |
| Exact Mass | 451.251821 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2Q0hj6qfWWL |
|---|---|
| Name | HALISULFATE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H39O5S |
| InChI | InChI=1S/C25H40O5S/c1-19-10-11-22-23(9-6-14-24(22,2)3)25(19,4)15-12-20(18-30-31(26,27)28)7-5-8-21-13-16-29-17-21/h9,13,16-17,19-20,22H,5-8,10-12,14-15,18H2,1-4H3,(H,26,27,28)/p-1/t19-,20?,22-,25-/m1/s1 |
| InChIKey | OYRXLPLXKXDHJP-MBHHTPPASA-M |
| Literature Reference Author | G.CARR,M.RASZEK,R.V.SOEST,T.MATAINAHO,M.SHOPIK,C.F.B.HOLMES, R.J.ANDERSEN |
| Literature Reference Citation | J.NAT.PROD.,70,1812(2007) |
| Literature Reference DOI | 10.1021/np0702887 |
| Molecular Weight | 451.642 g/mol |
| Sample ID | 31086 |
| Solvent | CDCl3 |