1,3,5[10]-Estratriene-3,17-Diol-6-One 6-[O-Carboxymethyl]Oxime
[CAS# 35048-47-6]

Identification

• Name: 1,3,5[10]-Estratriene-3,17-Diol-6-One 6-[O-Carboxymethyl]Oxime
• Synonyms: 2-[[(13S,17S)-3,17-Dihydroxy-13-Methyl-8,9,11,12,14,15,16,17-Octahydro-7H-Cyclopenta[A]Phenanthren-6-Ylidene]Amino]Oxyethanoic Acid; Estradiol-6-Cmo; Estrone-6-(O-Carboxymethyl)Oxime
• Molecular Formula: C₂₀H₂₅NO₅
• Molecular Weight: 359.42
• CAS Registry Number: 35048-47-6
• SMILES: [C@]34(C(C1C(C2=C(C(=N/OCC(=O)O)/C1)C=C(O)C=C2)CC3)CC[C@@H]4O)C
• InChI: 1S/C20H25NO5/c1-20-7-6-13-12-3-2-11(22)8-15(12)17(21-26-10-19(24)25)9-14(13)16(20)4-5-18(20)23/h2-3,8,13-14,16,18,22-23H,4-7,9-10H2,1H3,(H,24,25)/b21-17+/t13?,14?,16?,18-,20-/m0/s1
• InChIKey: AWARIMYXKAIIGO-SBSUSGSLSA-N

Properties

• Density: 1.466g/cm³ (Cal.)
• Boiling point: 572.642°C at 760 mmHg (Cal.)
• Flash point: 300.124°C (Cal.)