| SpectraBase Compound ID | BTaX5DNfPlR |
|---|---|
| InChI | InChI=1S/C26H42O9S2.K.Na/c1-16(2)5-6-17(15-34-36(28,29)30)20-9-10-21-19-8-7-18-13-24(35-37(31,32)33)23(27)14-26(18,4)22(19)11-12-25(20,21)3;;/h5-7,16-17,19-24,27H,8-15H2,1-4H3,(H,28,29,30)(H,31,32,33);;/q;2*+1/b6-5+;;/t17-,19+,20-,21+,22+,23+,24+,25-,26+;;/m1../s1 |
| InChIKey | NZDMNVRCSRHROZ-AIZSKLLOSA-N |
| Mol Weight | 624.8211 g/mol |
| Molecular Formula | C26H42KNaO9S2 |
| Exact Mass | 624.180501 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 57Q8pRoHqRl |
|---|---|
| Name | (20R,22E)-24-NORCHOLESTA-5,22-DIENE-2-BETA,3-ALPHA,21-TRIOL-3,21-DISULFATE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H42KNaO9S2 |
| InChI | InChI=1S/C26H42O9S2.K.Na/c1-16(2)5-6-17(15-34-36(28,29)30)20-9-10-21-19-8-7-18-13-24(35-37(31,32)33)23(27)14-26(18,4)22(19)11-12-25(20,21)3;;/h5-7,16-17,19-24,27H,8-15H2,1-4H3,(H,28,29,30)(H,31,32,33);;/q;2*+1/b6-5+;;/t17-,19+,20-,21+,22+,23+,24+,25-,26+;;/m1../s1 |
| InChIKey | NZDMNVRCSRHROZ-AIZSKLLOSA-N |
| Literature Reference Author | M.V.D'AURIA,L.G.PALOMA,L.MINALE,R.RICCIO,A.ZAMPELLA |
| Literature Reference Citation | J.NAT.PROD.,58,189(1995) |
| Literature Reference DOI | 10.1021/np50116a005 |
| Molecular Weight | 624.822 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVP4831 |