Sodium Scymnol Sulfate
[CAS# 119068-78-9]

Identification

• Name: Sodium Scymnol Sulfate
• Synonyms: Sodium (3R,5S,7R,10S,12S,13R,17R)-7,12-Dihydroxy-17-[(1R,4R,5S)-4-Hydroxy-5-(Hydroxymethyl)-1-Methyl-6-Sulfooxy-Hexyl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-3-Olate; Sodium (3R,5S,7R,10S,12S,13R,17R)-7,12-Dihydroxy-17-[(1R,4R,5S)-4-Hydroxy-5-(Hydroxymethyl)-1-Methyl-6-Sulfooxyhexyl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-3-Olate; Sodium (3R,5S,7R,10S,12S,13R,17R)-7,12-Dihydroxy-17-[(1R,4R,5S)-4-Hydroxy-1-Methyl-5-Methylol-6-Sulfoxy-Hexyl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-3-Olate
• Molecular Formula: C₂₇H₄₇NaO₉S
• Molecular Weight: 570.71
• CAS Registry Number: 119068-78-9
• SMILES: [C@]34(C(C1C([C@@]2([C@H](C[C@H]1O)C[C@H]([O-])CC2)C)C[C@@H]3O)CC[C@@H]4[C@@H](CC[C@@H](O)[C@H](CO[S](=O)(=O)O)CO)C)C.[Na+]
• InChI: 1S/C27H47O9S.Na/c1-15(4-7-22(30)16(13-28)14-36-37(33,34)35)19-5-6-20-25-21(12-24(32)27(19,20)3)26(2)9-8-18(29)10-17(26)11-23(25)31;/h15-25,28,30-32H,4-14H2,1-3H3,(H,33,34,35);/q-1;+1/t15-,16+,17+,18-,19-,20?,21?,22-,23-,24+,25?,26+,27-;/m1./s1
• InChIKey: OBGNUGLHIUBVPS-XIPOGHEVSA-N