(5Z,13E,15S)-6,9alpha-Epithio-11alpha,15-Dihydroxyprosta-5,13-Dien-1-Oic Acid
[CAS# 64868-63-9]

Identification

• Name: (5Z,13E,15S)-6,9alpha-Epithio-11alpha,15-Dihydroxyprosta-5,13-Dien-1-Oic Acid
• Synonyms: (5Z)-5-[(3Ar,4R,5R,6As)-5-Hydroxy-4-[(E,3S)-3-Hydroxyoct-1-Enyl]-3,3A,4,5,6,6A-Hexahydrocyclopenta[D]Thiophen-2-Ylidene]Valeric Acid; Pgi2-S; S-Pgi2
• Molecular Formula: C₂₀H₃₂O₄S
• Molecular Weight: 368.53
• CAS Registry Number: 64868-63-9
• SMILES: [C@@H]12[C@@H](SC(/C1)=C\CCCC(=O)O)C[C@@H](O)[C@@H]2\C=C\[C@@H](O)CCCCC
• InChI: 1S/C20H32O4S/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24)/b11-10+,15-8-/t14-,16+,17+,18+,19-/m0/s1
• InChIKey: ZYMMOTNKRGVMJT-OZUDYXHBSA-N

Properties

• Density: 1.241g/cm³ (Cal.)
• Boiling point: 556.519°C at 760 mmHg (Cal.)
• Flash point: 290.372°C (Cal.)