(1alpha,4Aalpha,4Bbeta,10beta)-7-Hydroxy-1-Methyl-8-Methylenegibbane-1,4A,10-Tricarboxylic Acid
[CAS# 18411-79-5]

Identification

• Name: (1alpha,4Aalpha,4Bbeta,10beta)-7-Hydroxy-1-Methyl-8-Methylenegibbane-1,4A,10-Tricarboxylic Acid
• Synonyms: (1S,2S,3R,4R,8R,9R,12S)-12-hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]pentadecane-2,4,8-tricarboxylic acid; (1S,2S,3R,4R,8R,9R,12S)-12-hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]pentadecane-2,4,8-tricarboxylic acid; 7α-hydroxy-1β-methyl-8-methylidene-4aα,4bβ-gibbane-1α,; (1S,2S,3R,4R,8R,9R,12S)-12-hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]pentadecane-2,4,8-tricarboxylic acid; 7α-hydroxy-1β-methyl-8-methylidene-4aα,4bβ-gibbane-1α,4a,10β-tricarboxylic acid
• Molecular Formula: C₂₀H₂₆O₇
• Molecular Weight: 378.42
• CAS Registry Number: 18411-79-5
• SMILES: O=C(O)[C@@]1(CCC[C@]3(C(=O)O)[C@@H]1[C@H](C(=O)O)[C@]24C[C@](O)(C(=C)\C2)CC[C@@H]34)C
• InChI: 1S/C20H26O7/c1-10-8-18-9-19(10,27)7-4-11(18)20(16(25)26)6-3-5-17(2,15(23)24)13(20)12(18)14(21)22/h11-13,27H,1,3-9H2,2H3,(H,21,22)(H,23,24)(H,25,26)/t11-,12-,13-,17-,18+,19+,20-/m1/s1
• InChIKey: AUKMHZZVLPQAOX-CDNFTCFOSA-N

Properties

• Density: 1.449g/cm³ (Cal.)
• Boiling point: 542.195°C at 760 mmHg (Cal.)
• Flash point: 295.776°C (Cal.)
• Refractive index: 1.626 (Cal.)