(Z)-7-[(1R,2R,3R)-2-[(E)-5-Ethoxy-3-hydroxy-4,4-dimethylpent-1-enyl]-3-hydroxy-5-oxocyclopentyl]hept-5-enoic acid
[CAS# 58687-40-4]

Identification

• Name: (Z)-7-[(1R,2R,3R)-2-[(E)-5-Ethoxy-3-hydroxy-4,4-dimethylpent-1-enyl]-3-hydroxy-5-oxocyclopentyl]hept-5-enoic acid
• Synonyms: (Z)-7-[(1R,2R,3R)-2-[(E)-5-Ethoxy-3-Hydroxy-4,4-Dimethyl-Pent-1-Enyl]-3-Hydroxy-5-Oxo-Cyclopentyl]Hept-5-Enoic Acid; (Z)-7-[(1R,2R,3R)-2-[(E)-5-Ethoxy-3-Hydroxy-4,4-Dimethyl-Pent-1-Enyl]-3-Hydroxy-5-Keto-Cyclopentyl]Hept-5-Enoic Acid; 5-Heptenoic Acid, 7-(2-(5-Ethoxy-3-Hydroxy-4,4-Dimethyl-1-Pentenyl)-3-Hydroxy-5-Oxocyclopentyl)-, (1R-(1Alpha(Z),2Beta(1E,3R*),3Alpha))-
• Molecular Formula: C₂₁H₃₄O₆
• Molecular Weight: 382.50
• CAS Registry Number: 58687-40-4
• SMILES: [C@@H]1(\C=C\C(C(COCC)(C)C)O)[C@H](C(C[C@H]1O)=O)C\C=C/CCCC(=O)O
• InChI: 1S/C21H34O6/c1-4-27-14-21(2,3)19(24)12-11-16-15(17(22)13-18(16)23)9-7-5-6-8-10-20(25)26/h5,7,11-12,15-16,18-19,23-24H,4,6,8-10,13-14H2,1-3H3,(H,25,26)/b7-5-,12-11+/t15-,16-,18-,19?/m1/s1
• InChIKey: UJFDLBWYYFZXDS-MHYGPMIPSA-N

Properties

• Density: 1.16g/cm³ (Cal.)
• Boiling point: 571.587°C at 760 mmHg (Cal.)
• Flash point: 193.272°C (Cal.)