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Substance Name: 12alpha-Hydroxy-3-oxochola-4,6-dienic acid
RN: 13535-96-1
InChIKey: DJVAMCYXFUWMLS-QUPGBHKMSA-N

Molecular Formula

  • C24-H34-O4

Molecular Weight

  • 386.529
 
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Names and Synonyms

Results Name

  • 12alpha-Hydroxy-3-oxochola-4,6-dienic acid

Synonym

  • (12alpha)-12-Hydroxy-3-oxochola-4,6-dien-24-oic acid

Systematic Name

  • Chola-4,6-dien-24-oic acid, 12-hydroxy-3-oxo-, (12alpha)-

Registry Numbers

CAS Registry Number

  • 13535-96-1

System Generated Number

  • 0013535961

Structure Descriptors

InChI

1S/C24H34O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h5-6,12,14,17-21,26H,4,7-11,13H2,1-3H3,(H,27,28)/t14-,17+,18-,19+,20+,21+,23+,24-/m1/s1

InChIKey

DJVAMCYXFUWMLS-QUPGBHKMSA-N

Smiles

C1(CC[C@@]2([C@H]3C[C@@H]([C@@]4([C@H](CC[C@@H]4[C@@H]3C=CC2=C1)[C@@H](CCC(=O)O)C)C)O)C)=O