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Substance Name: DCQVA
RN: 24967-10-0
InChIKey: YHBFMULEUYRINA-RRLOCTAFSA-N

Note

  • A catabolite of cholic acid.

Molecular Formula

  • C18-H27-N-O3

Molecular Weight

  • 305.415
 
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Names and Synonyms

Results Name

  • DCQVA

Name of Substance

  • 4-(Decahydromethyl-3-oxo-1H-cyclopentaquinolinyl)valeric acid

Synonyms

  • (4R)-4-(2,3,4,6,6abeta,7,8,9,9aalpha,9bbeta-Decahydro-6abeta-methyl-3-oxo-1H-cyclopenta(f)quinolin-7beta-yl)valeric acid
  • (6aR-(6aalpha,7alpha(R*),9abeta,9balpha))-2,3,4,6,6a,7,8,9,9a-Decahydro-gamma,6a-dimethyl-3-oxo-1H-cyclopenta(f)quinoline-7-butanoic acid
  • 4-(Decahydro-6-methyl-3-oxo-cyclopenta(f)quinoline-7-yl)valeric acid
  • DCQVA

Systematic Name

  • 1H-Cyclopenta(f)quinoline-7-butanoic acid, 2,3,4,6,6a,7,8,9,9a-decahydro-gamma,6a-dimethyl-3-oxo-, (6aR-(6aalpha,7alpha(R*),9abeta,9balpha))-

Registry Numbers

CAS Registry Number

  • 24967-10-0

System Generated Number

  • 0024967100

Structure Descriptors

InChI

1S/C18H27NO3/c1-11(3-8-17(21)22)13-5-6-14-12-4-7-16(20)19-15(12)9-10-18(13,14)2/h9,11-14H,3-8,10H2,1-2H3,(H,19,20)(H,21,22)/t11-,12+,13-,14+,18-/m1/s1

InChIKey

YHBFMULEUYRINA-RRLOCTAFSA-N

Smiles

N1C(CC[C@H]2[C@H]3[C@@](CC=C12)([C@H](CC3)[C@@H](CCC(=O)O)C)C)=O