(E,7R)-1-[(2S,6Z)-3-Hydroxy-6-(2-hydroxyethylidene)-2-methyloxepan-2-yl]-4,7,8-trimethylnon-3-en-5-one
[CAS# 67359-27-7]

Identification

• Name: (E,7R)-1-[(2S,6Z)-3-Hydroxy-6-(2-hydroxyethylidene)-2-methyloxepan-2-yl]-4,7,8-trimethylnon-3-en-5-one
• Synonyms: (E,7R)-1-[(2S,6Z)-3-Hydroxy-6-(2-Hydroxyethylidene)-2-Methyl-Oxepan-2-Yl]-4,7,8-Trimethyl-Non-3-En-5-One; (E,7R)-1-[(2S,6Z)-3-Hydroxy-6-(2-Hydroxyethylidene)-2-Methyl-2-Oxepanyl]-4,7,8-Trimethylnon-3-En-5-One; 3-Nonen-5-One, 9-(3-Hydroxy-6-(2-Hydroxyethylidene)-2-Methyl-2-Oxepanyl)-2,3,6-Trimethyl-, (2S-(2Alpha(E),3Beta,6E))-
• Molecular Formula: C₂₁H₃₆O₄
• Molecular Weight: 352.51
• CAS Registry Number: 67359-27-7
• SMILES: [C@@]1(OC\C(CCC1O)=C/CO)(CC\C=C(C(=O)C[C@H](C(C)C)C)/C)C
• InChI: 1S/C21H36O4/c1-15(2)17(4)13-19(23)16(3)7-6-11-21(5)20(24)9-8-18(10-12-22)14-25-21/h7,10,15,17,20,22,24H,6,8-9,11-14H2,1-5H3/b16-7+,18-10-/t17-,20?,21+/m1/s1
• InChIKey: CZBZIFYYQJXPKZ-JMQNYVPTSA-N

Properties

• Density: 1.039g/cm³ (Cal.)
• Boiling point: 501.943°C at 760 mmHg (Cal.)
• Flash point: 166.387°C (Cal.)