| SpectraBase Compound ID | Aa0M4LChg87 |
|---|---|
| InChI | InChI=1S/C25H40O7S.Na/c1-17-10-11-20-21(9-6-13-24(20,2)3)25(17,4)14-12-18(16-31-33(28,29)30)7-5-8-19-15-22(26)32-23(19)27;/h9,15,17-18,20,23,27H,5-8,10-14,16H2,1-4H3,(H,28,29,30);/q;+1/p-1/t17-,18?,20-,23?,25-;/m0./s1 |
| InChIKey | IASZPAQKCILOPX-BVAKGKMBSA-M |
| Mol Weight | 506.6 g/mol |
| Molecular Formula | C25H39NaO7S |
| Exact Mass | 506.231419 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GQCk3w4DNsC |
|---|---|
| Name | 25-HYDROXYHALISULFATE_9 |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H39NaO7S |
| InChI | InChI=1S/C25H40O7S.Na/c1-17-10-11-20-21(9-6-13-24(20,2)3)25(17,4)14-12-18(16-31-33(28,29)30)7-5-8-19-15-22(26)32-23(19)27;/h9,15,17-18,20,23,27H,5-8,10-14,16H2,1-4H3,(H,28,29,30);/q;+1/p-1/t17-,18?,20-,23?,25-;/m0./s1 |
| InChIKey | IASZPAQKCILOPX-BVAKGKMBSA-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 | 506.630 g/mol |
| Sample ID | 32241 |
| Solvent | CD3OD |