| SpectraBase Compound ID | 2JCp6iWSglf |
|---|---|
| InChI | InChI=1S/C23H40O13S3.3Na/c1-13(7-9-24)15-4-5-16-14-10-19(34-37(25,26)27)18-11-20(35-38(28,29)30)21(36-39(31,32)33)12-23(18,3)17(14)6-8-22(15,16)2;;;/h13-21,24H,4-12H2,1-3H3,(H,25,26,27)(H,28,29,30)(H,31,32,33);;;/q;3*+1/p-3/t13?,14?,15?,16?,17?,18?,19-,20-,21?,22+,23+;;;/m0.../s1 |
| InChIKey | ULMCPNOTCOQDJS-XJZARAAISA-K |
| Mol Weight | 686.68530785 g/mol |
| Molecular Formula | C23H37Na3O13S3 |
| Exact Mass | 686.108938 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9Iab9Oc7Ka4 |
|---|---|
| Name | 24-nor-5.alpha.-Cholane-2.beta.,3.alpha.,6.alpha.,23-tetraol - 2.beta.,3.alpha.,6.alpha.-tris(Sodium Sulfate) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H37Na3O13S3 |
| InChI | InChI=1S/C23H40O13S3.3Na/c1-13(7-9-24)15-4-5-16-14-10-19(34-37(25,26)27)18-11-20(35-38(28,29)30)21(36-39(31,32)33)12-23(18,3)17(14)6-8-22(15,16)2;;;/h13-21,24H,4-12H2,1-3H3,(H,25,26,27)(H,28,29,30)(H,31,32,33);;;/q;3*+1/p-3/t13?,14?,15?,16?,17?,18?,19-,20-,21?,22+,23+;;;/m0.../s1 |
| InChIKey | ULMCPNOTCOQDJS-XJZARAAISA-K |
| Molecular Weight | 686.685 g/mol |
| SMILES | [Na+].OCCC(C1[C@]2(CCC3C(C2CC1)C[C@@](C1[C@@]3(CC([C@@](OS([O-])(=O)=O)(C1)[H])OS([O-])(=O)=O)C)(OS([O-])(=O)=O)[H])C)C.[Na+].[Na+] |
| SPLASH | splash10-0r00-0096000000-23317f487ee9aefe594a |
| Source of Spectrum | X4-22-414-3 |
| Wiley ID | 1585974 |