(5S,6E,8beta,9alpha,11alpha,14Z)-5,9,11-Trihydroxy(17,17,18,18-²H₄)Prosta-6,14-Dien-1-Oic Acid
[CAS# 214977-79-4]

Identification

• Name: (5S,6E,8beta,9alpha,11alpha,14Z)-5,9,11-Trihydroxy(17,17,18,18-²H₄)Prosta-6,14-Dien-1-Oic Acid
• Synonyms: "5S,9?,11?-trihydroxy-(8?)-prosta-6E,14Z-dien-1-oic-17,17,18,18-d4 acid"; 5S,9?,11?-trihydroxy-(8?)-prosta-6E,14Z-dien-1-oic-17,17,18,18-d4 acid
• Molecular Formula: C₂₀H₃₀D₄O₅
• Molecular Weight: 358.51
• CAS Registry Number: 214977-79-4
• SMILES: [2H]C([2H])(CC)C([2H])([2H])C/C=C\C[C@H]1[C@@H](C[C@@H]([C@H]1/C=C/[C@H](CCCC(=O)O)O)O)O
• InChI: 1S/C20H34O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16+,17-,18+,19-/m0/s1/i3D2,4D2
• InChIKey: RZCPXIZGLPAGEV-NJRWSKLTSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 525.4±50.0°C at 760 mmHg (Cal.)
• Flash point: 285.6±26.6°C (Cal.)
• Refractive index: 1.569 (Cal.)