(Z)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(E,3S)-3-methoxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
[CAS# 40834-96-6]

Identification

• Name: (Z)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(E,3S)-3-methoxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
• Synonyms: Pdsp2_000737; 15-Methoxyprostaglandin F2alpha; O-15-Methylprostaglandin F2alpha Ether
• Molecular Formula: C₂₁H₃₆O₅
• Molecular Weight: 368.51
• CAS Registry Number: 40834-96-6
• SMILES: [C@H]1([C@H]([C@@H](O)C[C@H]1O)C\C=C/CCCC(=O)O)\C=C\[C@@H](OC)CCCCC
• InChI: 1S/C21H36O5/c1-3-4-7-10-16(26-2)13-14-18-17(19(22)15-20(18)23)11-8-5-6-9-12-21(24)25/h5,8,13-14,16-20,22-23H,3-4,6-7,9-12,15H2,1-2H3,(H,24,25)/b8-5-,14-13+/t16-,17+,18+,19-,20+/m0/s1
• InChIKey: RGZAEYWCXILWFX-NVRZHKMMSA-N

Properties

• Density: 1.108g/cm³ (Cal.)
• Boiling point: 513.244°C at 760 mmHg (Cal.)
• Flash point: 169.863°C (Cal.)