3-Methyl-1-[2,3,5-trihydroxy-4-(3-methyl-2-buten-1-yl)-1,4-cyclopentadien-1-yl]-1-butanone

CAS Registry Number®

520-40-1

CAS Name

3-Methyl-1-[2,3,5-trihydroxy-4-(3-methyl-2-buten-1-yl)-1,4-cyclopentadien-1-yl]-1-butanone

Molecular Formula

C15H22O4

Molecular Mass

266.33

Cite this Page

3-Methyl-1-[2,3,5-trihydroxy-4-(3-methyl-2-buten-1-yl)-1,4-cyclopentadien-1-yl]-1-butanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=520-40-1 (retrieved 2024-12-19) (CAS RN: 520-40-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    130-131 °C @ Press: 1 Torr

  • Melting Point (1)

    92 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C15H22O4/c1-8(2)5-6-10-13(17)12(15(19)14(10)18)11(16)7-9(3)4/h5,9,14,17-19H,6-7H2,1-4H3

InChIKey

InChIKey=VRBDOLKCKSULIG-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 1-Butanone, 3-methyl-1-[2,3,5-trihydroxy-4-(3-methyl-2-buten-1-yl)-1,4-cyclopentadien-1-yl]-
  • Humulinic acid
  • 1-Butanone, 3-methyl-1-[2,3,5-trihydroxy-4-(3-methyl-2-butenyl)-1,4-cyclopentadien-1-yl]-
  • 3-Methyl-1-[2,3,5-trihydroxy-4-(3-methyl-2-buten-1-yl)-1,4-cyclopentadien-1-yl]-1-butanone

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