Humulone

CAS Registry Number®

23510-81-8
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CAS Name

Humulone

Molecular Formula

C21H30O5

Molecular Mass

362.46

Cite this Page

Humulone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=23510-81-8 (retrieved 2024-04-26) (CAS RN: 23510-81-8).  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)7-8-15-18(23)17(16(22)11-14(5)6)20(25)21(26,19(15)24)10-9-13(3)4/h7,9,14-15,25-26H,8,10-11H2,1-6H3

InChIKey

InChIKey=IEHWDPKFDXJDJL-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 4-Cyclohexene-1,3-dione, 5,6-dihydroxy-2,6-bis(3-methyl-2-buten-1-yl)-4-(3-methyl-1-oxobutyl)-
  • 4-Cyclohexene-1,3-dione, 5,6-dihydroxy-4-isovaleryl-2,6-bis(3-methyl-2-butenyl)-
  • 4-Cyclohexene-1,3-dione, 5,6-dihydroxy-2,6-bis(3-methyl-2-butenyl)-4-(3-methyl-1-oxobutyl)-
  • 5,6-Dihydroxy-2,6-bis(3-methyl-2-buten-1-yl)-4-(3-methyl-1-oxobutyl)-4-cyclohexene-1,3-dione
  • Humulone

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Deleted or Replaced CAS Registry Numbers

856-91-7, 26089-69-0

CAS INSIGHTSTM
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