| SpectraBase Compound ID | 47wxO03MYNd |
|---|---|
| InChI | InChI=1S/C25H40O6S.Na/c1-18-10-11-21-22(9-6-13-24(21,2)3)25(18,4)14-12-19(17-31-32(27,28)29)7-5-8-20-15-23(26)30-16-20;/h9,15,18-19,21H,5-8,10-14,16-17H2,1-4H3,(H,27,28,29);/q;+1/p-1/t18-,19?,21-,25-;/m0./s1 |
| InChIKey | BLTUPSZIEWPSCO-SVMUINOTSA-M |
| Mol Weight | 490.6 g/mol |
| Molecular Formula | C25H39NaO6S |
| Exact Mass | 490.236504 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | InNRM4tYEAk |
|---|---|
| Name | HALISULFATE_9 |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H39NaO6S |
| InChI | InChI=1S/C25H40O6S.Na/c1-18-10-11-21-22(9-6-13-24(21,2)3)25(18,4)14-12-19(17-31-32(27,28)29)7-5-8-20-15-23(26)30-16-20;/h9,15,18-19,21H,5-8,10-14,16-17H2,1-4H3,(H,27,28,29);/q;+1/p-1/t18-,19?,21-,25-;/m0./s1 |
| InChIKey | BLTUPSZIEWPSCO-SVMUINOTSA-M |
| Literature Reference Author | G.YAO,T.P.KONDRATYUK,G.T.TAN,J.M.PEZZUTO,L.C.CHANG |
| Literature Reference Citation | J.NAT.PROD.,72,319(2009) |
| Literature Reference DOI | 10.1021/np8005343 |
| Molecular Weight | 490.631 g/mol |
| Sample ID | 32242 |
| Solvent | CD3OD |