(2R-(2alpha,2abeta,4aalpha,7aalpha,7bbeta))-2-((2,4-Dihydroxy-6-Methylbenzoyl)Oxy)-2,2a,4a,5,6,7,7a,7b-Octahydro-2a-Hydroxy-6,6,7b-Trimethyl-1H-Cyclobut(E)Indene-3-Carboxylic Acid
[CAS# 129251-06-5]

Identification

• Name: (2R-(2alpha,2abeta,4aalpha,7aalpha,7bbeta))-2-((2,4-Dihydroxy-6-Methylbenzoyl)Oxy)-2,2a,4a,5,6,7,7a,7b-Octahydro-2a-Hydroxy-6,6,7b-Trimethyl-1H-Cyclobut(E)Indene-3-Carboxylic Acid
• Synonyms: 1H-Cyclobut(E)Indene-3-Carboxylic Acid, 2-((2,4-Dihydroxy-6-Methylbenzoyl)Oxy)-2,2A,4A,5,6,7,7A,7B-Octahydro-2A-Hydroxy-6,6,7B-Trimethyl-, (2R-(2Alpha,2Abeta,4Aalpha,7Aalpha,7Bbeta))-; Armillaric Acid
• Molecular Formula: C₂₃H₂₈O₇
• Molecular Weight: 416.47
• CAS Registry Number: 129251-06-5
• SMILES: [C@]23([C@@](O)([C@H](OC(=O)C1=C(C=C(O)C=C1O)C)C2)C(=C[C@H]4[C@@H]3CC(C4)(C)C)C(=O)O)C
• InChI: 1S/C23H28O7/c1-11-5-13(24)7-16(25)18(11)20(28)30-17-10-22(4)15-9-21(2,3)8-12(15)6-14(19(26)27)23(17,22)29/h5-7,12,15,17,24-25,29H,8-10H2,1-4H3,(H,26,27)/t12-,15+,17-,22-,23+/m1/s1
• InChIKey: AOCKXACXCVTXBB-NJHYUGCKSA-N

Properties

• Density: 1.409g/cm³ (Cal.)
• Boiling point: 617.888°C at 760 mmHg (Cal.)
• Flash point: 213.011°C (Cal.)