(5Z,8beta,9alpha,11alpha,13E,15R)-9,11,15-Trihydroxy(3,3,4,4-²H₄)Prosta-5,13-Dien-1-Oic Acid
[CAS# 211105-40-7]

Identification

• Name: (5Z,8beta,9alpha,11alpha,13E,15R)-9,11,15-Trihydroxy(3,3,4,4-²H₄)Prosta-5,13-Dien-1-Oic Acid
• Synonyms: " 9α,11α,15S-trihydroxy-(8β)-prosta-5Z,13E-dien-1-oic-3,3,4,4-d4 acid" ; 8-iso Prostaglandin F2?-d4; 9α,11α,15S-trihydroxy-(8β)-prosta-5Z,13E-dien-1-oic-3,3,4,4-d4 acid
• Molecular Formula: C₂₀H₃₀D₄O₅
• Molecular Weight: 358.51
• CAS Registry Number: 211105-40-7
• SMILES: [2H]C([2H])(CC(=O)O)C([2H])([2H])/C=C\C[C@@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@@H](CCCCC)O)O)O
• InChI: 1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17-,18+,19-/m1/s1/i5D2,8D2
• InChIKey: PXGPLTODNUVGFL-FFPNWKNKSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 531.0±50.0°C at 760 mmHg (Cal.)
• Flash point: 289.0±26.6°C (Cal.)
• Refractive index: 1.569 (Cal.)