6 alpha,16 alpha-Dihydroxyestrone 6-Hemisuccinate
[CAS# 84371-31-3]

Identification

• Name: 6 alpha,16 alpha-Dihydroxyestrone 6-Hemisuccinate
• Synonyms: 4-[[(6S,8R,9S,13S,14S,16R)-3,16-Dihydroxy-13-Methyl-17-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-6-Yl]Oxy]-4-Oxo-Butanoic Acid; 4-[[(6S,8R,9S,13S,14S,16R)-3,16-Dihydroxy-17-Keto-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-6-Yl]Oxy]-4-Keto-Butyric Acid; 3,6Alpha,16Alpha-Trihydroxy-1,3,5(10)-Estratrien-17-One 6-Hemisuccinate
• Molecular Formula: C₂₂H₂₆O₇
• Molecular Weight: 402.44
• CAS Registry Number: 84371-31-3
• SMILES: [C@H]2(C1=C(C=CC(=C1)O)[C@@H]4[C@@H](C2)[C@@H]3C[C@H](C([C@@]3(C)CC4)=O)O)OC(CCC(=O)O)=O
• InChI: 1S/C22H26O7/c1-22-7-6-13-12-3-2-11(23)8-15(12)18(29-20(27)5-4-19(25)26)9-14(13)16(22)10-17(24)21(22)28/h2-3,8,13-14,16-18,23-24H,4-7,9-10H2,1H3,(H,25,26)/t13-,14-,16+,17-,18+,22+/m1/s1
• InChIKey: DQOUUNHNWYQXAB-ZVDJSPIDSA-N

Properties

• Density: 1.404g/cm³ (Cal.)
• Boiling point: 650.628°C at 760 mmHg (Cal.)
• Flash point: 228.615°C (Cal.)