Basic Information |
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| Product Name: | 5-CHOLENIC ACID-3BETA-OL SULPHATE,SODIUM SALT |
| CAS: | 103404-56-4 |
| English Synonyms: | 3BETA-HYDROXY-5-CHOLEN-24-OIC ACID 3-SULFATE SODIUM SALT ; 5-CHOLEN-24-OIC ACID-3BETA-OL-3-SULFATE SODIUM SALT ; 5-CHOLENIC ACID-3BETA-OL SULPHATE,SODIUM SALT ; 5-CHOLEN-24-OIC ACID-3BETA-OL 3-SULPHATE ; 3BETA-HYDROXYCHOL-5-EN-24-OIC ACID 3-SULPHATE ; 3BETA-HYDROXYCHOL-5-EN-24-OIC ACID 3-SULFATE SODIUM SALT |
| MDL Number.: | MFCD00271416 |
| H bond acceptor: | 6 |
| H bond donor: | 1 |
| Smile: | C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)[O-])C)C.[Na+] |
| InChi: | InChI=1S/C24H38O6S.Na/c1-15(4-9-22(25)26)19-7-8-20-18-6-5-16-14-17(30-31(27,28)29)10-12-23(16,2)21(18)11-13-24(19,20)3;/h5,15,17-21H,4,6-14H2,1-3H3,(H,25,26)(H,27,28,29);/q;+1/p-1/t15-,17+,18+,19-,20+,21+,23+,24-;/m1./s1 |
| InChiKey: | InChIKey=BPQRZKUNLBNFKF-ODOGWOHFSA-M |
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