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Substance Name: 4-Hydroxy-4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-2-cyclohexen-1-one, (4R,3R)-(E)-(+/-)-
RN: 50763-72-9
UNII: 5EOD81GX28
InChIKey: KPQMCAKZRXOZLB-ZWXQHPBJSA-N

Molecular Weight

  • 224.298
 
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Names and Synonyms

Name of Substance

  • 4-Hydroxy-4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-2-cyclohexen-1-one, (4R,3R)-(E)-(+/-)-

Synonyms

  • 2-Cyclohexen-1-one, 4-hydroxy-4-((1E,3R)-3-hydroxy-1-buten-1-yl)-3,5,5-trimethyl-, (4R)-rel-
  • 2-Cyclohexen-1-one, 4-hydroxy-4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-, (R*,R*-(E))-
  • 2-Cyclohexen-1-one, 4-hydroxy-4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-, (R*,R*-(E))-(+/-)-
  • FEMA no. 4661, (4R,3R)-(E)-(+/-)-
  • UNII-5EOD81GX28

Registry Numbers

CAS Registry Number

  • 50763-72-9

FDA UNII

  • 5EOD81GX28

System Generated Number

  • 0050763729

Structure Descriptors

InChI

1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13+/m1/s1

InChIKey

KPQMCAKZRXOZLB-ZWXQHPBJSA-N

Smiles

CC1=CC(=O)CC([C@@]1(/C=C/[C@@H](C)O)O)(C)C