Isocohumulone

CAS Registry Number®

25269-20-9

CAS Name

Isocohumulone

Molecular Formula

C20H28O5

Molecular Mass

348.43

Cite this Page

Isocohumulone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=25269-20-9 (retrieved 2024-11-22) (CAS RN: 25269-20-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=KKXFYHZSOIALRM-UHFFFAOYSA-N

SMILES

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

Other Names for this Substance

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

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Deleted or Replaced CAS Registry Numbers

510-16-7, 17812-72-5

CAS INSIGHTSTM
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