(5Z,9E,11alpha,13E,15S)-11,15-Dihydroxy-9-(methoxyimino)prosta-5,13-dien-1-oic acid
[CAS# 86659-90-7]

Identification

• Name: (5Z,9E,11alpha,13E,15S)-11,15-Dihydroxy-9-(methoxyimino)prosta-5,13-dien-1-oic acid
• Synonyms: PGE2 Methyl oxime; Prosta-5,13-dien-1-oic acid, 11,15-dihydroxy-9-(methoxyimino)-, (5Z,11-α,13E,15S)-
• Molecular Formula: C₂₁H₃₅NO₅
• Molecular Weight: 381.51
• CAS Registry Number: 86659-90-7
• SMILES: O=C(O)CCC/C=C\C[C@H]1C(=N\OC)\C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCCCC
• InChI: 1S/C21H35NO5/c1-3-4-7-10-16(23)13-14-18-17(19(22-27-2)15-20(18)24)11-8-5-6-9-12-21(25)26/h5,8,13-14,16-18,20,23-24H,3-4,6-7,9-12,15H2,1-2H3,(H,25,26)/b8-5-,14-13+,22-19+/t16-,17+,18+,20+/m0/s1
• InChIKey: JEAYVFUSHHYSBC-OBMIRUGBSA-N

Properties

• Density: 1.12g/cm³ (Cal.)
• Boiling point: 538.075°C at 760 mmHg (Cal.)
• Flash point: 279.218°C (Cal.)