Isoadhumulone

CAS Registry Number®

25422-83-7
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CAS Name

Isoadhumulone

Molecular Formula

C21H30O5

Molecular Mass

362.46

Cite this Page

Isoadhumulone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=25422-83-7 (retrieved 2024-08-27) (CAS RN: 25422-83-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H30O5/c1-7-14(6)18(23)17-19(24)15(10-8-12(2)3)21(26,20(17)25)16(22)11-9-13(4)5/h8-9,14-15,25-26H,7,10-11H2,1-6H3

InChIKey

InChIKey=QHRQNLXYMFCGPB-UHFFFAOYSA-N

SMILES

C(CC=C(C)C)(=O)C1(O)C(CC=C(C)C)C(=O)C(C(C(CC)C)=O)=C1O

Canonical SMILES

O=C(C=1C(=O)C(CC=C(C)C)C(O)(C(=O)CC=C(C)C)C1O)C(C)CC

Other Names for this Substance

  • 2-Cyclopenten-1-one, 3,4-dihydroxy-5-(3-methyl-2-buten-1-yl)-2-(2-methyl-1-oxobutyl)-4-(4-methyl-1-oxo-3-penten-1-yl)-
  • Isoadhumulone
  • 3-Penten-1-one, 1-[1,2-dihydroxy-5-(3-methyl-2-butenyl)-3-(2-methylbutyryl)-4-oxo-2-cyclopenten-1-yl]-4-methyl-
  • 2-Cyclopenten-1-one, 3,4-dihydroxy-5-(3-methyl-2-butenyl)-2-(2-methyl-1-oxobutyl)-4-(4-methyl-1-oxo-3-pentenyl)-
  • 3,4-Dihydroxy-5-(3-methyl-2-buten-1-yl)-2-(2-methyl-1-oxobutyl)-4-(4-methyl-1-oxo-3-penten-1-yl)-2-cyclopenten-1-one

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Deleted or Replaced CAS Registry Numbers

17812-71-4, 61617-62-7