Aluminium Tris[(20beta)-3beta-Hydroxy-11-Oxoolean-12-En-29-Oate]
[CAS# 4598-66-7]

Identification

• Name: Aluminium Tris[(20beta)-3beta-Hydroxy-11-Oxoolean-12-En-29-Oate]
• Synonyms: Aluminum (2S,4As,6Ar,6As,6Br,8Ar,10S,12As,14Br)-10-Hydroxy-13-Keto-2,4A,6A,6B,9,9,12A-Heptamethyl-3,4,5,6,6A,7,8,8A,10,11,12,14B-Dodecahydro-1H-Picene-2-Carboxylate; Aluminium Tris((20Beta)-3Beta-Hydroxy-11-Oxoolean-12-En-29-Oate)
• Molecular Formula: C₃₀H₄₅AlO₄
• Molecular Weight: 496.66
• CAS Registry Number: 4598-66-7
• EINECS: 224-998-4
• SMILES: [C@@H]14[C@]([C@]2(C(=CC1=O)[C@H]3[C@@](CC2)(CC[C@@](C3)(C([O-])=O)C)C)C)(CC[C@@H]5[C@@]4(CC[C@H](O)C5(C)C)C)C.[Al+3]
• InChI: 1S/C30H46O4.Al/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6;/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34);/q;+3/p-1/t19-,21-,22-,23+,26+,27-,28-,29+,30+;/m0./s1
• InChIKey: HFINQBUVZAHPJV-IHMBCTQLSA-M

Properties

• Boiling point: 588.3°C at 760 mmHg (Cal.)
• Flash point: 323.6°C (Cal.)