Atractylon

CAS Registry Number®

6989-21-5
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CAS Name

Atractylon

Molecular Formula

C15H20O

Molecular Mass

216.32

Cite this Page

Atractylon.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6989-21-5 (retrieved 2024-07-08) (CAS RN: 6989-21-5).  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/C15H20O/c1-10-5-4-6-15(3)8-14-12(7-13(10)15)11(2)9-16-14/h9,13H,1,4-8H2,2-3H3/t13-,15+/m0/s1

InChIKey

InChIKey=TYPSVDGIQAOBAD-DZGCQCFKSA-N

SMILES

C[C@]12[C@@](CC3=C(C1)OC=C3C)(C(=C)CCC2)[H]

Canonical SMILES

O1C=C(C2=C1CC3(C)CCCC(=C)C3C2)C

Other Names for this Substance

  • Naphtho[2,3-b]furan, 4,4a,5,6,7,8,8a,9-octahydro-3,8a-dimethyl-5-methylene-, (4aS,8aR)-
  • Naphtho[2,3-b]furan, 4,4aα,5,6,7,8,8a,9-octahydro-3,8aβ-dimethyl-5-methylene-
  • Naphtho[2,3-b]furan, 4,4a,5,6,7,8,8a,9-octahydro-3,8a-dimethyl-5-methylene-, (4aS-trans)-
  • Atractylone
  • (4aS,8aR)-4,4a,5,6,7,8,8a,9-Octahydro-3,8a-dimethyl-5-methylenenaphtho[2,3-b]furan

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Deleted or Replaced CAS Registry Numbers

98309-94-5