Humulinone

CAS Registry Number®

981-03-3
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CAS Name

Humulinone

Molecular Formula

C21H30O6

Molecular Mass

378.46

Cite this Page

Humulinone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=981-03-3 (retrieved 2024-05-20) (CAS RN: 981-03-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    74 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1/C21H30O6/c1-12(2)7-8-16(23)21(27)19(25)17(15(22)11-14(5)6)18(24)20(21,26)10-9-13(3)4/h7,9,14,25-27H,8,10-11H2,1-6H3/t20-,21+/s2

InChIKey

InChIKey=SAIULYGEZGWEDU-VJOGAFQXNA-N

SMILES

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

Canonical SMILES

O=C(C=1C(=O)C(O)(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, 3,4,5-trihydroxy-5-(3-methyl-2-buten-1-yl)-2-(3-methyl-1-oxobutyl)-4-(4-methyl-1-oxo-3-penten-1-yl)-, (4R,5R)-rel-
  • 2-Cyclopenten-1-one, 3,4,5-trihydroxy-2-isovaleryl-5-(3-methyl-2-butenyl)-4-(4-methyl-3-pentenoyl)-
  • Humulinone
  • 2-Cyclopenten-1-one, 3,4,5-trihydroxy-5-(3-methyl-2-butenyl)-2-(3-methyl-1-oxobutyl)-4-(4-methyl-1-oxo-3-pentenyl)-, cis-(±)-
  • 2-Cyclopenten-1-one, 3,4,5-trihydroxy-5-(3-methyl-2-butenyl)-2-(3-methyl-1-oxobutyl)-4-(4-methyl-1-oxo-3-pentenyl)-, (4R,5R)-rel-

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Deleted or Replaced CAS Registry Numbers

26146-35-0

CAS INSIGHTSTM
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