(Z)-7-[(1R,2S,3S,5R)-3-[(E,3R)-3-hydroxyoct-1-enyl]-7-thiabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid
[CAS# 80408-46-4]

Identification

• Name: (Z)-7-[(1R,2S,3S,5R)-3-[(E,3R)-3-hydroxyoct-1-enyl]-7-thiabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid
• Synonyms: 5-Heptenoic Acid, 7-(3-(3-Hydroxy-1-Octenyl)-6-Thiabicyclo(3.1.1)Hept-2-Yl)-, (1Alpha,2Beta(Z),3Alpha(1E,3R*),5Alpha)-; Sta 2; Stxa2
• Molecular Formula: C₂₁H₃₄O₃S
• Molecular Weight: 366.56
• CAS Registry Number: 80408-46-4
• SMILES: [C@@H]12S[C@@H](C1)C[C@H]([C@@H]2C\C=C/CCCC(=O)O)\C=C\[C@H](O)CCCCC
• InChI: 1S/C21H34O3S/c1-2-3-6-9-17(22)13-12-16-14-18-15-20(25-18)19(16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17-,18-,19+,20-/m1/s1
• InChIKey: OVGWMUWIRHGGJP-WTODYLRWSA-N

Properties

• Density: 1.113g/cm³ (Cal.)
• Boiling point: 532.703°C at 760 mmHg (Cal.)
• Flash point: 275.969°C (Cal.)