(1R,2S,3S,4R,8S,9S,12R)-4,8-Dimethyl-13-Methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]Pentadecane-2,4-Dicarboxylic Acid
[CAS# 1164-45-0]

Identification

• Name: (1R,2S,3S,4R,8S,9S,12R)-4,8-Dimethyl-13-Methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]Pentadecane-2,4-Dicarboxylic Acid
• Synonyms: C11857; Chebi:30088; Ga12
• Molecular Formula: C₂₀H₂₈O₄
• Molecular Weight: 332.44
• CAS Registry Number: 1164-45-0
• SMILES: [C@@]234[C@H]([C@@H]1[C@](C(=O)O)(CCC[C@]1([C@@H]2CC[C@H](C3)C(C4)=C)C)C)C(=O)O
• InChI: 1S/C20H28O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(20)16(21)22/h12-15H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,15+,18+,19-,20+/m1/s1
• InChIKey: UJFQJDAESQJXTG-UFUZVNNQSA-N

Properties

• Density: 1.232g/cm³ (Cal.)
• Boiling point: 474.915°C at 760 mmHg (Cal.)
• Flash point: 255.131°C (Cal.)