(5Z)-7-{(1S,2R,5S)-3-[(1E,3S)-3-Hydroxy-1-octen-1-yl]-6-thiabicyclo[3.1.1]hept-2-yl}-5-heptenoic acid
[CAS# 89617-02-7]

Identification

• Name: (5Z)-7-{(1S,2R,5S)-3-[(1E,3S)-3-Hydroxy-1-octen-1-yl]-6-thiabicyclo[3.1.1]hept-2-yl}-5-heptenoic acid
• Synonyms: 5-Heptenoic acid, 7-((1S,2R,4R,5S)-3-((1E,3S)-3-hydroxy-1-octenyl)-6-thiabicyclo(3.1.1)hept-2-yl)-, (5Z)-; 5-Heptenoic acid, 7-(3-(3-hydroxy-1-octenyl)-6-thiabicyclo(3.1.1)hept-2-yl)-, (1S-(1α,2β(Z),3α(1E,3R*),5α))-; 9,11-Epithio-11,12-methanothromboxane A2
• Molecular Formula: C₂₁H₃₄O₃S
• Molecular Weight: 366.56
• CAS Registry Number: 89617-02-7
• SMILES: O=C(O)CCC\C=C/C[C@@H]2C(/C=C/[C@@H](O)CCCCC)C[C@@H]1S[C@H]2C1
• 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-/m0/s1
• InChIKey: OVGWMUWIRHGGJP-YUOWJYRGSA-N

Properties

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