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Substance Name: 7a-Methyl-5,6,7,7a-tetrahydroindan-1,5-dione-4-(3-propionic acid)
RN: 25110-82-1
UNII: E78502AJNG
InChIKey: MQIGRVMBIPYVRE-UHFFFAOYSA-N

Note

  • Used as model in studying microbial degradation of steroid rings B & C.

Molecular Formula

  • C13-H16-O4

Molecular Weight

  • 236.2654
 
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Names and Synonyms

Name of Substance

  • 7a-Methyl-5,6,7,7a-tetrahydroindan-1,5-dione-4-(3-propionic acid)

Synonyms

  • 7a-Methyl-5,6,7,7a-tetrahydro-1,5-dioxo-4-indanpropionic acid
  • UNII-E78502AJNG

Systematic Name

  • 1H-Indene-4-propanoic acid, 2,3,5,6,7,7a-hexahydro-7a-methyl-1,5-dioxo-

Registry Numbers

CAS Registry Number

  • 25110-82-1

FDA UNII

  • E78502AJNG

Other Registry Numbers

  • 16913-31-8
  • 21932-65-0

System Generated Number

  • 0025110821

Structure Descriptors

InChI

1S/C13H16O4/c1-13-7-6-10(14)8(2-5-12(16)17)9(13)3-4-11(13)15/h2-7H2,1H3,(H,16,17)

InChIKey

MQIGRVMBIPYVRE-UHFFFAOYSA-N

Smiles

CC12CCC(=O)C(=C1CCC2=O)CCC(=O)O