| SpectraBase Compound ID | Cx7wTpl91xd |
|---|---|
| InChI | InChI=1S/C26H44O10S2.2Na/c1-15(2)5-6-16(14-35-37(29,30)31)18-9-10-19-17-7-8-20-24(28)22(36-38(32,33)34)11-12-25(20,3)23(17)21(27)13-26(18,19)4;;/h5-6,15-24,27-28H,7-14H2,1-4H3,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2/b6-5+;;/t16-,17-,18+,19-,20+,21-,22+,23+,24-,25-,26+;;/m0../s1 |
| InChIKey | RIPSUPLSIKBWQU-XCVUKZLWSA-L |
| Mol Weight | 624.71153856 g/mol |
| Molecular Formula | C26H42Na2O10S2 |
| Exact Mass | 624.201478 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6f9EKgKhqaT |
|---|---|
| Name | (22E)-5-BETA-24-NORCHOLESTA-22-ENE-3-ALPHA,4-ALPHA,11-BETA,21-TETROL-3,21-DISULFATE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H42Na2O10S2 |
| InChI | InChI=1S/C26H44O10S2.2Na/c1-15(2)5-6-16(14-35-37(29,30)31)18-9-10-19-17-7-8-20-24(28)22(36-38(32,33)34)11-12-25(20,3)23(17)21(27)13-26(18,19)4;;/h5-6,15-24,27-28H,7-14H2,1-4H3,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2/b6-5+;;/t16-,17-,18+,19-,20+,21-,22+,23+,24-,25-,26+;;/m0../s1 |
| InChIKey | RIPSUPLSIKBWQU-XCVUKZLWSA-L |
| Literature Reference Author | A.J.ROCCATAGIATA,M.S.MAIER,A.M.SELDES,C.A.PUJOL,E.B.DAMONTE |
| Literature Reference Citation | J.NAT.PROD.,59,887(1996) |
| Literature Reference DOI | 10.1021/np960171a |
| Molecular Weight | 624.713 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVP847 |