For research use only. Not for therapeutic Use.
| Catalog Number | M105541 |
| CAS Number | 152013-72-4 |
| Synonyms | echinocystic acid-3-O-sulfate |
| Molecular Formula | C30H48NaO7S+ |
| Purity | ≥95% |
| Storage | Store at RT |
| IUPAC Name | sodium;(4aR,5R,6aR,6aS,6bR,8aR,12aR,14bS)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-sulfooxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| InChI | InChI=1S/C30H48O7S.Na/c1-25(2)14-15-30(24(32)33)19(16-25)18-8-9-21-27(5)12-11-23(37-38(34,35)36)26(3,4)20(27)10-13-28(21,6)29(18,7)17-22(30)31;/h8,19-23,31H,9-17H2,1-7H3,(H,32,33)(H,34,35,36);/q;+1/t19-,20-,21+,22+,23?,27-,28+,29+,30+;/m0./s1 |
| InChIKey | JIJSEQNPAJALDU-KEDXJNOMSA-N |
| SMILES | CC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OS(=O)(=O)O)C)C(=O)O)C.[Na+] |
