(1R,2R,5S,8S,9S,10R,11S,12R,14S)-5-hydroxy-11-methyl-6-methylidene-17-oxo-13,16-dioxahexacyclo[9.4.2.1(5,8).0(1,10).0(2,8).0(12,14)]octadecane-9-carboxylic acid
[CAS# 19147-78-5]

Identification

• Name: (1R,2R,5S,8S,9S,10R,11S,12R,14S)-5-hydroxy-11-methyl-6-methylidene-17-oxo-13,16-dioxahexacyclo[9.4.2.1(5,8).0(1,10).0(2,8).0(12,14)]octadecane-9-carboxylic acid
• Synonyms: Lmpr01040073; (1R,2R,5S,8S,9S,10R,11S,12R,14S)-5-Hydroxy-11-Methyl-6-Methylidene-17-Oxo-13,16-Dioxahexacyclo[9.4.2.1(5,8).0(1,10).0(2,8).0(12,14)]Octadecane-9-Carboxylic Acid; 2Beta,3Beta-Epoxy-7Alpha-Hydroxy-1Beta-Methyl-8-Methylidene-13-Oxo-4A,1Alpha-Epoxymethano-4Aalpha,4Bbeta-Gibbane-10Beta-Carboxylic Acid
• Molecular Formula: C₁₉H₂₂O₆
• Molecular Weight: 346.38
• CAS Registry Number: 19147-78-5
• SMILES: [C@]126OC(=O)C([C@H]1[C@@H]([C@]34[C@H]2CC[C@](O)(C3)C(C4)=C)C(O)=O)([C@H]5O[C@H]5C6)C
• InChI: 1S/C19H22O6/c1-8-5-17-7-18(8,23)4-3-10(17)19-6-9-13(24-9)16(2,15(22)25-19)12(19)11(17)14(20)21/h9-13,23H,1,3-7H2,2H3,(H,20,21)/t9-,10+,11+,12+,13-,16?,17-,18-,19+/m0/s1
• InChIKey: XNBWKKYPKJHUKD-JXHFLFEZSA-N

Properties

• Density: 1.511g/cm³ (Cal.)
• Boiling point: 609.947°C at 760 mmHg (Cal.)
• Flash point: 225.741°C (Cal.)