9-[(2R,3S,6E)-3-Hydroxy-6-(2-Hydroxyethylidene)-2-Methyloxepan-2-Yl]-2,6-Dimethylnon-2-En-5-One
[CAS# 75419-15-7]

Identification

• Name: 9-[(2R,3S,6E)-3-Hydroxy-6-(2-Hydroxyethylidene)-2-Methyloxepan-2-Yl]-2,6-Dimethylnon-2-En-5-One
• Synonyms: 9-[(2R,3S,6E)-3-Hydroxy-6-(2-Hydroxyethylidene)-2-Methyl-Oxepan-2-Yl]-2,6-Dimethyl-Non-2-En-5-One; 9-[(2R,3S,6E)-3-Hydroxy-6-(2-Hydroxyethylidene)-2-Methyl-2-Oxepanyl]-2,6-Dimethylnon-2-En-5-One; ( -)-Zoapatanol
• Molecular Formula: C₂₀H₃₄O₄
• Molecular Weight: 338.49
• CAS Registry Number: 75419-15-7
• SMILES: [C@]1(OC\C(CC[C@@H]1O)=C\CO)(CCCC(C(=O)CC=C(C)C)C)C
• InChI: 1S/C20H34O4/c1-15(2)7-9-18(22)16(3)6-5-12-20(4)19(23)10-8-17(11-13-21)14-24-20/h7,11,16,19,21,23H,5-6,8-10,12-14H2,1-4H3/b17-11+/t16?,19-,20+/m0/s1
• InChIKey: XRDHAXIOHKTIGF-UKHUEATNSA-N

Properties

• Density: 1.05g/cm³ (Cal.)
• Boiling point: 489.163°C at 760 mmHg (Cal.)
• Flash point: 164.014°C (Cal.)