(+)-Avarone

CAS Registry Number®

55303-99-6
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CAS Name

(+)-Avarone

Molecular Formula

C21H28O2

Molecular Mass

312.45

Cite this Page

(+)-Avarone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=55303-99-6 (retrieved 2024-09-07) (CAS RN: 55303-99-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    61-63 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H28O2/c1-14-6-5-7-19-20(14,3)11-10-15(2)21(19,4)13-16-12-17(22)8-9-18(16)23/h6,8-9,12,15,19H,5,7,10-11,13H2,1-4H3/t15-,19+,20+,21+/m0/s1

InChIKey

InChIKey=VPRHEJGLNUDEEH-LWILDLIXSA-N

SMILES

C([C@@]1(C)[C@]2([C@](C)(CC[C@@H]1C)C(C)=CCC2)[H])C=3C(=O)C=CC(=O)C3

Canonical SMILES

O=C1C=CC(=O)C(=C1)CC2(C)C(C)CCC3(C(=CCCC32)C)C

Other Names for this Substance

  • 2,5-Cyclohexadiene-1,4-dione, 2-[[(1R,2S,4aS,8aS)-1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl]methyl]-
  • 2,5-Cyclohexadiene-1,4-dione, 2-[(1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl]-, [1R-(1α,2β,4aβ,8aα)]-
  • 2-[[(1R,2S,4aS,8aS)-1,2,3,4,4a,7,8,8a-Octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl]methyl]-2,5-cyclohexadiene-1,4-dione
  • Avarone
  • (+)-Avarone

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