(1R,2S,3S,4S,5S,8R,9R,12R)-8-Formyl-5-Hydroxy-4-Methyl-13-Methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]Pentadecane-2,4-Dicarboxylic Acid
[CAS# 38076-57-2]

Identification

• Name: (1R,2S,3S,4S,5S,8R,9R,12R)-8-Formyl-5-Hydroxy-4-Methyl-13-Methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]Pentadecane-2,4-Dicarboxylic Acid
• Synonyms: 4A-Formyl-2Beta-Hydroxy-1Beta-Methyl-8-Methylidene-4Aalpha,4Bbeta-Gibbane-1Alpha,10Beta-Dicarboxylic Acid; Chebi:29595; Ga36
• Molecular Formula: C₂₀H₂₆O₆
• Molecular Weight: 362.42
• CAS Registry Number: 38076-57-2
• SMILES: [C@@]234[C@H]([C@@H]1[C@](C(=O)O)([C@@H](O)CC[C@]1([C@@H]2CC[C@H](C3)C(C4)=C)C=O)C)C(=O)O
• InChI: 1S/C20H26O6/c1-10-7-20-8-11(10)3-4-12(20)19(9-21)6-5-13(22)18(2,17(25)26)15(19)14(20)16(23)24/h9,11-15,22H,1,3-8H2,2H3,(H,23,24)(H,25,26)/t11-,12+,13+,14-,15-,18-,19-,20+/m1/s1
• InChIKey: JZBLVVPDEDCVQA-SQLMURCQSA-N

Properties

• Density: 1.369g/cm³ (Cal.)
• Boiling point: 556.196°C at 760 mmHg (Cal.)
• Flash point: 304.234°C (Cal.)