3-Hydroxy-2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-2,5-cyclohexadiene-1,4-dione

CAS Registry Number®

137252-25-6

CAS Name

3-Hydroxy-2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-2,5-cyclohexadiene-1,4-dione

Molecular Formula

C21H28O3

Molecular Mass

328.45

Cite this Page

3-Hydroxy-2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-2,5-cyclohexadiene-1,4-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=137252-25-6 (retrieved 2025-07-03) (CAS RN: 137252-25-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    50-51 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H28O3/c1-5-6-7-8-15-12-18(22)19(21(24)20(15)23)17-11-14(4)9-10-16(17)13(2)3/h11-12,16-17,24H,2,5-10H2,1,3-4H3/t16-,17+/m0/s1

InChIKey

InChIKey=WDXXEUARVHTWQF-DLBZAZTESA-N

SMILES

C(C)(=C)[C@H]1[C@@H](C=C(C)CC1)C2=C(O)C(=O)C(CCCCC)=CC2=O

Canonical SMILES

O=C1C=C(C(=O)C(O)=C1C2C=C(C)CCC2C(=C)C)CCCCC

Other Names for this Substance

  • 2,5-Cyclohexadiene-1,4-dione, 3-hydroxy-2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-
  • 2,5-Cyclohexadiene-1,4-dione, 3-hydroxy-2-[3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-, (1R-trans)-
  • 3-Hydroxy-2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-2,5-cyclohexadiene-1,4-dione
  • HU 331
  • VCE 004

View All

CAS INSIGHTSTM
Aspergillus fungus, computer illustration. This is a toxic fungus that causes diseases in humans.