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Substance Name: Humulon
RN: 26472-41-3
UNII: KHB4767H3K
InChIKey: VZMXLSLKOHIKTQ-NRFANRHFSA-N

Note

  • Antibiotic from hops.

Molecular Formula

  • C21-H30-O5

Molecular Weight

  • 362.463
 
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Names and Synonyms

Name of Substance

  • Humulon

Synonyms

  • 1,4,6-Trihydroxy-1,3-bis(2-isopentenyl)-5-isovaleryl-3,5-cyclohexadien-2-on
  • 2',3'-Dihydro-3'beta,4',6'-trihydroxy-3'alpha,5'-bis(3-methyl-2-butenyl)-2'-oxoisovalerophenon
  • 3,5,6beta-Trihydroxy-2-isovaleryl-4,6alpha-bis(3-methyl-2-butenyl)-2,4-cyclohexadienon
  • alpha-Humulon
  • CCRIS 7249
  • EINECS 247-725-0
  • NSC 56351
  • UNII-KHB4767H3K

Systematic Names

  • (6R)-3,5,6-Trihydroxy-2-isovaleryl-4,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dienone
  • Humulon

Registry Numbers

CAS Registry Number

  • 26472-41-3

FDA UNII

  • KHB4767H3K

System Generated Number

  • 0026472413

Structure Descriptors

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/h7,9,14,23,25-26H,8,10-11H2,1-6H3/t21-/m0/s1

InChIKey

VZMXLSLKOHIKTQ-NRFANRHFSA-N

Smiles

C=1(C(=C(C(=O)[C@](C1O)(C\C=C(/C)C)O)C\C=C(\C)C)O)C(CC(C)C)=O