3α,6β,7β,12α-Tetrahydroxy-5β-cholanoic acid, acetate-methyl ester

• Formula: C₃₃H₅₀O₁₀
• Molecular weight: 606.7441
• IUPAC Standard InChI: InChI=1S/C33H50O10/c1-17(9-12-28(38)39-8)23-10-11-24-29-25(16-27(33(23,24)7)41-19(3)35)32(6)14-13-22(40-18(2)34)15-26(32)30(42-20(4)36)31(29)43-21(5)37/h17,22-27,29-31H,9-16H2,1-8H3/t17?,22-,23?,24?,25?,26+,27+,29?,30+,31-,32?,33?/m0/s1 Copy

  
• IUPAC Standard InChIKey: NDZQWHMQQJDYRD-QMMSOFMJSA-N Copy
• Chemical structure:
  This structure is also available as a 2d Mol file
• Stereoisomers:
  • 3α,6α,7α,12α-Tetrahydroxy-5β-cholanoic acid, acetate-methyl ester
  • 3α,6β,7α,12α-Tetrahydroxy-5β-cholanoic acid, acetate-methyl ester
  • 3α,6β,7β,12β-Tetrahydroxy-5β-cholanoic acid, acetate-methyl ester
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• Other data available:
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• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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