(3beta,20beta)-3-(3-carboxy-1-oxopropoxy)-11-oxo-Olean-12-en-29-oic acid disodium salt mixt. with aluminum hydroxide, magnesium silicon oxide and sodium hydrogen carbonate
[CAS# 78515-90-9]

Identification

• Name: (3beta,20beta)-3-(3-carboxy-1-oxopropoxy)-11-oxo-Olean-12-en-29-oic acid disodium salt mixt. with aluminum hydroxide, magnesium silicon oxide and sodium hydrogen carbonate
• Synonyms: Aluminum; Magnesium; Trisodium; (2R,4As,6As,6Br,10S,12As,14Bs)-2,4A,6A,6B,9,9,12A-Heptamethyl-10-(4-Oxido-4-Oxo-Butanoyl)Oxy-13-Oxo-3,4,5,6,6A,7,8,8A,10,11,12,14B-Dodecahydro-1H-Picene-2-Carboxylate; Hydrogen Carbonate; Oxygen(-2) Anion
• Molecular Formula: C₃₅H₅₂AlMgNa₃O₁₄Si
• Molecular Weight: 845.13
• CAS Registry Number: 78515-90-9
• SMILES: [Si].O([C@@H]5C(C4[C@@](C1[C@]([C@]2(C(=CC1=O)[C@@H]3[C@@](CC2)(CC[C@@](C3)(C)C([O-])=O)C)C)(CC4)C)(CC5)C)(C)C)C(=O)CCC([O-])=O.[OH-].[OH-].[O--].C(O)([O-])=O.[Na+].[Na+].[Na+].[Mg++].[OH-].[Al+3]
• InChI: 1S/C34H50O7.CH2O3.Al.Mg.3Na.3H2O.O.Si/c1-29(2)23-10-13-34(7)27(32(23,5)12-11-24(29)41-26(38)9-8-25(36)37)22(35)18-20-21-19-31(4,28(39)40)15-14-30(21,3)16-17-33(20,34)6;2-1(3)4;;;;;;;;;;/h18,21,23-24,27H,8-17,19H2,1-7H3,(H,36,37)(H,39,40);(H2,2,3,4);;;;;;3*1H2;;/q;;+3;+2;3*+1;;;;-2;/p-6/t21-,23?,24+,27?,30-,31-,32+,33-,34-;;;;;;;;;;;/m1.........../s1
• InChIKey: VZUAHDLJKLWOIC-BHHRPHOISA-H

Properties

• Boiling point: 687.4°C at 760 mmHg (Cal.)
• Flash point: 211.6°C (Cal.)