(1alpha,2beta,4Aalpha,4Bbeta,10beta)-2-Hydroxy-1,4A-Dimethyl-8-Methylenegibbane-1,10-Dicarboxylic Acid
[CAS# 4955-22-0]

Identification

• Name: (1alpha,2beta,4Aalpha,4Bbeta,10beta)-2-Hydroxy-1,4A-Dimethyl-8-Methylenegibbane-1,10-Dicarboxylic Acid
• Synonyms: (1R,2S,3S,4S,5S,8S,9S,12R)-5-hydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]pentadecane-2,4-dicarboxylic acid; (1R,2S,3S,4S,5S,8S,9S,12R)-5-hydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]pentadecane-2,4-dicarboxylic acid; 2β-hydroxy-1β,4a-dimethyl-8-methylidene-4aα,4bβ-gibbane-; (1R,2S,3S,4S,5S,8S,9S,12R)-5-hydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]pentadecane-2,4-dicarboxylic acid; 2β-hydroxy-1β,4a-dimethyl-8-methylidene-4aα,4bβ-gibbane-1α,10β-dicarboxylic acid
• Molecular Formula: C₂₀H₂₈O₅
• Molecular Weight: 348.43
• CAS Registry Number: 4955-22-0
• SMILES: O=C(O)[C@]2([C@H]1[C@H](C(=O)O)[C@]34CC(=C)\[C@H](CC[C@H]3[C@]1(C)CC[C@@H]2O)C4)C
• InChI: 1S/C20H28O5/c1-10-8-20-9-11(10)4-5-12(20)18(2)7-6-13(21)19(3,17(24)25)15(18)14(20)16(22)23/h11-15,21H,1,4-9H2,2-3H3,(H,22,23)(H,24,25)/t11-,12+,13+,14-,15+,18+,19-,20+/m1/s1
• InChIKey: NJEWNTGSXKRWKA-MJPABCAUSA-N

Properties

• Density: 1.301g/cm³ (Cal.)
• Boiling point: 516.746°C at 760 mmHg (Cal.)
• Flash point: 280.402°C (Cal.)