(1R,2R,5R,8R,9S,10S,11S,17S)-17-Hydroxy-11-Methyl-6-Methylene-12-Oxo-13-Oxapentacyclo[9.3.3.1^5,8.0^1,10.0^2,8]Octadecane-9-Carboxylic Acid
[CAS# 38231-54-8]

Identification

• Name: (1R,2R,5R,8R,9S,10S,11S,17S)-17-Hydroxy-11-Methyl-6-Methylene-12-Oxo-13-Oxapentacyclo[9.3.3.1^5,8.0^1,10.0^2,8]Octadecane-9-Carboxylic Acid
• Synonyms: (1R,2R,5R,8R,9S,10S,11S,17S)-17-hydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.1(5,8).0(1,10).0(2,8)]octadecane-9-carboxylic acid; (1R,2R,5R,8R,9S,10S,11S,17S)-17-hydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.1(5,8).0(1,10).0(2,8)]octadecane-9-carboxylic acid; 2β-hydroxy-1β-methyl-8-methylidene-12-oxo-1α; (1R,2R,5R,8R,9S,10S,11S,17S)-17-hydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.1(5,8).0(1,10).0(2,8)]octadecane-9-carboxylic acid; 2β-hydroxy-1β-methyl-8-methylidene-12-oxo-1α,4a-(methanooxymethano)-4aα,4bβ-gibbane-10β-carboxylic acid
• Molecular Formula: C₂₀H₂₆O₅
• Molecular Weight: 346.42
• CAS Registry Number: 38231-54-8
• SMILES: OC(=O)[C@@H]3[C@]51C[C@@H](CC[C@H]1[C@]24COC(=O)[C@](C)([C@@H](O)CC2)[C@@H]34)C(=C)C5
• InChI: 1S/C20H26O5/c1-10-7-20-8-11(10)3-4-12(20)19-6-5-13(21)18(2,17(24)25-9-19)15(19)14(20)16(22)23/h11-15,21H,1,3-9H2,2H3,(H,22,23)/t11-,12+,13+,14-,15-,18-,19-,20+/m1/s1
• InChIKey: QYXZQZMPZUEEML-SQLMURCQSA-N

Properties

• Density: 1.344g/cm³ (Cal.)
• Boiling point: 582.045°C at 760 mmHg (Cal.)
• Flash point: 210.287°C (Cal.)