(17beta)-Estra-1,3,5(10)-Triene-3,17-Diol Bis(Hydrogen Sulfate) Potassium Salt (1:1)
[CAS# 17046-60-5]

Identification

• Name: (17beta)-Estra-1,3,5(10)-Triene-3,17-Diol Bis(Hydrogen Sulfate) Potassium Salt (1:1)
• Synonyms: 1,3,5(10)-Estratriene 3,17β-disulfate; 3,17β-Dihydroxy-1,3,5(10)-estratriene disulfate
• Molecular Formula: C₁₈H₂₄KO₈S₂
• Molecular Weight: 471.61
• CAS Registry Number: 17046-60-5
• SMILES: CC12CCC3c4ccc(cc4CCC3C1CCC2OS(=O)(=O)O)OS(=O)(=O)O.[K]
• InChI: 1S/C18H24O8S2.K/c1-18-9-8-14-13-5-3-12(25-27(19,20)21)10-11(13)2-4-15(14)16(18)6-7-17(18)26-28(22,23)24;/h3,5,10,14-17H,2,4,6-9H2,1H3,(H,19,20,21)(H,22,23,24);/t14-,15-,16+,17+,18+;/m1./s1
• InChIKey: CRAJNJFKHRQXBQ-CMZLOHJFSA-N

Properties

• Refractive index: (Cal.)