(1alpha,2beta,4Aalpha,4Bbeta,10beta)-2-Hydroxy-1-Methyl-8-Methylenegibbane-1,4A,10-Tricarboxylic Acid
[CAS# 2922-24-9]

Identification

• Name: (1alpha,2beta,4Aalpha,4Bbeta,10beta)-2-Hydroxy-1-Methyl-8-Methylenegibbane-1,4A,10-Tricarboxylic Acid
• Synonyms: (1S,2S,4aR,4bR,7R,9aR,10S,10aS)-2-hydroxy-1-methyl-8-methylenedodecahydro-4aH-7,9a-methanobenzo[a]azulene-1,4a,10-tricarboxylic acid; (1α,2β,4aα,4bβ,10β)-2-hydroxy-1-methyl-8-methylen; egibbane-1,4a,10-tricarboxylic acid
• Molecular Formula: C₂₀H₂₆O₇
• Molecular Weight: 378.42
• CAS Registry Number: 2922-24-9
• SMILES: O=C(O)[C@]2([C@H]1[C@H](C(=O)O)[C@]34C/C(=C)[C@H](CC[C@H]3[C@]1(C(=O)O)CC[C@@H]2O)C4)C
• InChI: 1S/C20H26O7/c1-9-7-19-8-10(9)3-4-11(19)20(17(26)27)6-5-12(21)18(2,16(24)25)14(20)13(19)15(22)23/h10-14,21H,1,3-8H2,2H3,(H,22,23)(H,24,25)(H,26,27)/t10-,11-,12+,13-,14-,18-,19+,20-/m1/s1
• InChIKey: UYRCHWLYXIQJKK-HMRRIYTKSA-N

Properties

• Density: 1.445g/cm³ (Cal.)
• Boiling point: 545.238°C at 760 mmHg (Cal.)
• Flash point: 297.614°C (Cal.)
• Refractive index: 1.623 (Cal.)