4-Obeta-D-galactopyranosyl-D-Glucose mixt. with 4-((chloroamino)sulfonyl)benzoic acid disodium salt, (17beta)-17-hydroxyestra-1,3,5(10)-trien-3-yl benzoate and sodium dodecyl sulfate
[CAS# 79682-28-3]

Identification

• Name: 4-Obeta-D-galactopyranosyl-D-Glucose mixt. with 4-((chloroamino)sulfonyl)benzoic acid disodium salt, (17beta)-17-hydroxyestra-1,3,5(10)-trien-3-yl benzoate and sodium dodecyl sulfate
• Synonyms: Trisodium; 4-(Chlorosulfamoyl)Benzoate; Dodecyl Sulfate; [(13S,17S)-17-Hydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-3-Yl] Benzoate; (2R,3R,4R,5R)-2,3,5,6-Tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Hexanal; Trisodium
• Molecular Formula: C₅₆H₈₀ClNNa₃O₂₂S₂
• Molecular Weight: 1287.78
• CAS Registry Number: 79682-28-3
• SMILES: O1[C@@H](O[C@@H]([C@H](O)[C@@H](O)C=O)[C@H](O)CO)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO.[C@]56(C(C2C(C4=C(CC2)C=C(OC(=O)C3=CC=CC=C3)C=C4)CC5)CC[C@@H]6O)C.C7=C([S](=O)(=O)NCl)C=CC(=C7)C([O-])=O.C(O[S]([O-])(=O)=O)CCCCCCCCCCC.[Na+].[Na+].[Na+]
• InChI: 1S/C25H28O3.C12H22O11.C12H26O4S.C7H6ClNO4S.3Na/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26;13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12;1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;8-9-14(12,13)6-3-1-5(2-4-6)7(10)11;;;/h2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3;1,4-12,14-21H,2-3H2;2-12H2,1H3,(H,13,14,15);1-4,9H,(H,10,11);;;/q;;;;3*+1/p-2/t20?,21?,22?,23-,25-;4-,5+,6+,7+,8-,9-,10+,11+,12-;;;;;/m00...../s1
• InChIKey: VTCQNIIPDFYPMZ-NYUBMDMSSA-L

Properties

• Boiling point: 531.2°C at 760 mmHg (Cal.)
• Flash point: 212°C (Cal.)