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Substance Name: 7alpha,12alpha-Dihydroxy-3-oxo-5beta-cholestan-26-al
RN: 78094-13-0
InChIKey: WDNCFNNWKSWQLA-SSGCBCEYSA-N

Molecular Weight

  • 432.641
 
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Names and Synonyms

Name of Substance

  • 7alpha,12alpha-Dihydroxy-3-oxo-5beta-cholestan-26-al

Synonym

  • 7,12-Dohoca

Systematic Name

  • Cholestan-26-al, 7,12-dihydroxy-3-oxo-, (5beta,7alpha,12alpha,25R)-

Registry Numbers

CAS Registry Number

  • 78094-13-0

System Generated Number

  • 0078094130

Structure Descriptors

InChI

1S/C27H44O4/c1-16(15-28)6-5-7-17(2)20-8-9-21-25-22(14-24(31)27(20,21)4)26(3)11-10-19(29)12-18(26)13-23(25)30/h15-18,20-25,30-31H,5-14H2,1-4H3/t16?,17-,18+,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1

InChIKey

WDNCFNNWKSWQLA-SSGCBCEYSA-N

Smiles

C1(CC[C@@]2([C@H]3C[C@@H]([C@@]4([C@@H]([C@@H](CCC[C@@H](C=O)C)C)CC[C@@H]4[C@@H]3[C@@H](C[C@H]2C1)O)C)O)C)=O