[3,16alpha-Dihydroxyestra-1,3,5(10)-Trien-17beta-Yl](Methyl)Ammonium Hydrogen Maleate
[CAS# 80177-51-1]

Identification

• Name: [3,16alpha-Dihydroxyestra-1,3,5(10)-Trien-17beta-Yl](Methyl)Ammonium Hydrogen Maleate
• Synonyms: [(13S,16R,17R)-3,16-Dihydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl]-Methyl-Ammonium; (Z)-4-Hydroxy-4-Oxo-But-2-Enoate; [(13S,16R,17R)-3,16-Dihydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl]-Methylammonium; (Z)-4-Hydroxy-4-Oxobut-2-Enoate; [(13S,16R,17R)-3,16-Dihydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl]-Methyl-Ammonium; (Z)-4-Hydroxy-4-Keto-But-2-Enoate
• Molecular Formula: C₂₃H₃₁NO₆
• Molecular Weight: 417.50
• CAS Registry Number: 80177-51-1
• EINECS: 279-413-5
• SMILES: [C@]34(C(C1C(C2=C(CC1)C=C(O)C=C2)CC3)C[C@@H](O)[C@@H]4[NH2+]C)C.O=C([O-])\C=C/C(=O)O
• InChI: 1S/C19H27NO2.C4H4O4/c1-19-8-7-14-13-6-4-12(21)9-11(13)3-5-15(14)16(19)10-17(22)18(19)20-2;5-3(6)1-2-4(7)8/h4,6,9,14-18,20-22H,3,5,7-8,10H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t14?,15?,16?,17-,18+,19+;/m1./s1
• InChIKey: UDCGSEPMGRJOAG-QJTLZUENSA-N

Properties

• Boiling point: 479.5°C at 760 mmHg (Cal.)
• Flash point: 139.4°C (Cal.)