trans-Isohumulone

CAS Registry Number®

467-72-1

CAS Name

trans-Isohumulone

Molecular Formula

C21H30O5

Molecular Mass

362.46

Cite this Page

trans-Isohumulone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=467-72-1 (retrieved 2024-11-22) (CAS RN: 467-72-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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-/m1/s1

InChIKey

InChIKey=QARXXMMQVDCYGZ-QVKFZJNVSA-N

SMILES

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

Other Names for this Substance

  • 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)-, (4S,5S)-
  • Isohumulone A
  • 3-Penten-1-one, 1-[1,2-dihydroxy-3-isovaleryl-5-(3-methyl-2-butenyl)-4-oxo-2-cyclopenten-1-yl]-4-methyl-, cis-(-)-
  • 2-Cyclopenten-1-one, 3,4-dihydroxy-5-(3-methyl-2-butenyl)-2-(3-methyl-1-oxobutyl)-4-(4-methyl-1-oxo-3-pentenyl)-, (4S-trans)-
  • 2-Cyclopenten-1-one, 3,4-dihydroxy-5-(3-methyl-2-butenyl)-2-(3-methyl-1-oxobutyl)-4-(4-methyl-1-oxo-3-pentenyl)-, (4S,5S)-

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Deleted or Replaced CAS Registry Numbers

18434-78-1, 20085-89-6, 38738-32-8

CAS INSIGHTSTM
Targeted protein degrader structure, illustration