| SpectraBase Compound ID | 6d9ruUv3dFt |
|---|---|
| InChI | InChI=1S/C25H40O5S.Na/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);/q;+1/p-1/t19-,20?,22+,25+;/m1./s1 |
| InChIKey | ACFQZRDPZZFBPV-KVJFRGJUSA-M |
| Mol Weight | 474.6 g/mol |
| Molecular Formula | C25H39NaO5S |
| Exact Mass | 474.24159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 723e7GT7ajP |
|---|---|
| Name | HALISULFATE_7 |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H39NaO5S |
| InChI | InChI=1S/C25H40O5S.Na/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);/q;+1/p-1/t19-,20?,22+,25+;/m1./s1 |
| InChIKey | ACFQZRDPZZFBPV-KVJFRGJUSA-M |
| Literature Reference Author | X.FU,M.L.G.FERREIRA,F.J.SCHMITZ,M.KELLY |
| Literature Reference Citation | J.NAT.PROD.,62,1190(1999) |
| Literature Reference DOI | 10.1021/np990074s |
| Molecular Weight | 474.631 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ2558 |