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Substance Name: 7-(3-Oxocholest-4-en-2-yl)-5-oxa-4-oxoheptanoic acid
RN: 134329-94-5
InChIKey: SYQQWGGBOQFINV-FBWHQHKGSA-N

Molecular Formula

  • C33-H52-O5

Molecular Weight

  • 528.769
 
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Names and Synonyms

Name of Substance

  • 7-(3-Oxocholest-4-en-2-yl)-5-oxa-4-oxoheptanoic acid

Synonym

  • OOOA

Systematic Name

  • Cholest-4-en-3-one, 2-(2-(3-carboxy-1-oxopropoxy)ethyl)-, (2alpha)-

Registry Numbers

CAS Registry Number

  • 134329-94-5

System Generated Number

  • 0134329945

Structure Descriptors

InChI

1S/C33H52O5/c1-21(2)7-6-8-22(3)26-11-12-27-25-10-9-24-19-29(34)23(16-18-38-31(37)14-13-30(35)36)20-33(24,5)28(25)15-17-32(26,27)4/h19,21-23,25-28H,6-18,20H2,1-5H3,(H,35,36)/t22-,23-,25+,26-,27+,28+,32-,33+/m1/s1

InChIKey

SYQQWGGBOQFINV-FBWHQHKGSA-N

Smiles

C1([C@@H](C[C@@]2([C@H]3CC[C@@]4([C@H](CC[C@@H]4[C@@H]3CCC2=C1)[C@@H](CCCC(C)C)C)C)C)CCOC(CCC(=O)O)=O)=O