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Substance Name: Isocohumulone, trans-
RN: 58501-77-2
UNII: LMS1PO68ZQ
InChIKey: KKXFYHZSOIALRM-XOBRGWDASA-N

Molecular Formula

  • C20-H28-O5

Molecular Weight

  • 348.4362
 
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Names and Synonyms

Name of Substance

  • Isocohumulone, trans-

Synonyms

  • 2-Cyclopenten-1-one, 3,4-dihydroxy-5-(3-methyl-2-buten-1-yl)-4-(4-methyl-1-oxo-3-penten-1-yl)-2-(2-methyl-1-oxopropyl)-, (4R,5R)-rel-
  • 2-Cyclopenten-1-one, 3,4-dihydroxy-5-(3-methyl-2-butenyl)-4-(4-methyl-1-oxo-3-pentenyl)-2-(2-methyl-1-oxopropyl)-, (4R,5R)-rel-
  • 2-Cyclopenten-1-one, 3,4-dihydroxy-5-(3-methyl-2-butenyl)-4-(4-methyl-1-oxo-3-pentenyl)-2-(2-methyl-1-oxopropyl)-, trans-
  • Isocohumulone, trans-
  • trans-Isocohumulone
  • UNII-LMS1PO68ZQ

Registry Numbers

CAS Registry Number

  • 58501-77-2

FDA UNII

  • LMS1PO68ZQ

System Generated Number

  • 0058501772

Structure Descriptors

InChI

1S/C20H28O5/c1-11(2)7-9-14-18(23)16(17(22)13(5)6)19(24)20(14,25)15(21)10-8-12(3)4/h7-8,13-14,24-25H,9-10H2,1-6H3/t14-,20-/m0/s1

InChIKey

KKXFYHZSOIALRM-XOBRGWDASA-N

Smiles

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