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Substance Name: Isohumulone, cis-
RN: 860020-69-5
UNII: 8K086L4VG6
InChIKey: QARXXMMQVDCYGZ-YCRPNKLZSA-N

Molecular Formula

  • C21-H30-O5

Molecular Weight

  • 362.463
 
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Names and Synonyms

Name of Substance

  • Isohumulone, cis-

Synonyms

  • 2-Cyclopenten-1-one, 3,4-dihydroxy-5-(3-methyl-2-buten-1-yl)-2-(3-methyl-1-oxobutyl)-4-(4-methyl-1-oxo-3-penten-1-yl)-, (4R,5S)-rel-
  • 2-Cyclopenten-1-one, 3,4-dihydroxy-5-(3-methyl-2-butenyl)-2-(3-methyl-1-oxobutyl)-4-(4-methyl-1-oxo-3-pentenyl)-, (4R,5S)-rel
  • cis-Iso-N-humulone
  • Iso-N-humulone, cis-
  • Isohumulone, cis-
  • UNII-8K086L4VG6

Registry Numbers

CAS Registry Number

  • 860020-69-5

FDA UNII

  • 8K086L4VG6

System Generated Number

  • 0860020695

Structure Descriptors

InChI

1S/C21H30O5/c1-12(2)7-9-15-19(24)18(16(22)11-14(5)6)20(25)21(15,26)17(23)10-8-13(3)4/h7-8,14-15,25-26H,9-11H2,1-6H3/t15-,21+/m0/s1

InChIKey

QARXXMMQVDCYGZ-YCRPNKLZSA-N

Smiles

CC(C)CC(=O)C1=C(O)[C@@](O)([C@@H](CC=C(C)C)C1=O)C(=O)CC=C(C)C