| SpectraBase Compound ID | 99CozNpjJeM |
|---|---|
| InChI | InChI=1S/C24H41ClO8S2.2Na/c1-15(5-4-12-25)18-8-9-19-17-7-6-16-13-21(32-34(26,27)28)22(33-35(29,30)31)14-24(16,3)20(17)10-11-23(18,19)2;;/h15-22H,4-14H2,1-3H3,(H,26,27,28)(H,29,30,31);;/q;2*+1/p-2/t15-,16+,17+,18-,19+,20+,21+,22+,23-,24+;;/m1../s1 |
| InChIKey | VSVVZVSXHFCWKY-XAHQJAJESA-L |
| Mol Weight | 601.12053856 g/mol |
| Molecular Formula | C24H39ClNa2O8S2 |
| Exact Mass | 600.157027 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6UkZQb0ogQG |
|---|---|
| Name | CHALINULASTEROL;SODIUM-24-CHLORO-5-ALPHA-CHOLANE-2-BETA,3-ALPHA-DIYL-2,3-DISULFATE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C24H39ClNa2O8S2 |
| InChI | InChI=1S/C24H41ClO8S2.2Na/c1-15(5-4-12-25)18-8-9-19-17-7-6-16-13-21(32-34(26,27)28)22(33-35(29,30)31)14-24(16,3)20(17)10-11-23(18,19)2;;/h15-22H,4-14H2,1-3H3,(H,26,27,28)(H,29,30,31);;/q;2*+1/p-2/t15-,16+,17+,18-,19+,20+,21+,22+,23-,24+;;/m1../s1 |
| InChIKey | VSVVZVSXHFCWKY-XAHQJAJESA-L |
| Literature Reference Author | R.TETA,G.D.SALA,B.RENGA,A.MANGONI,S.FIORUCCI,V.COSTANTINO |
| Literature Reference Citation | MAR.DRUGS,10,1383(2012) |
| Literature Reference DOI | 10.3390/md10061383 |
| Molecular Weight | 601.121 g/mol |
| Source File Reference | UWIR5848 |