Atractylenolide III

CAS Registry Number®

73030-71-4
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CAS Name

Atractylenolide III

Molecular Formula

C15H20O3

Molecular Mass

248.32

Cite this Page

Atractylenolide III.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=73030-71-4 (retrieved 2024-09-07) (CAS RN: 73030-71-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    166-169 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C15H20O3/c1-9-5-4-6-14(3)8-15(17)12(7-11(9)14)10(2)13(16)18-15/h11,17H,1,4-8H2,2-3H3/t11-,14+,15-/m0/s1

InChIKey

InChIKey=FBMORZZOJSDNRQ-GLQYFDAESA-N

SMILES

O[C@@]12C(C[C@@]3([C@@](C)(C1)CCCC3=C)[H])=C(C)C(=O)O2

Canonical SMILES

O=C1OC2(O)C(=C1C)CC3C(=C)CCCC3(C)C2

Other Names for this Substance

  • Naphtho[2,3-b]furan-2(4H)-one, 4a,5,6,7,8,8a,9,9a-octahydro-9a-hydroxy-3,8a-dimethyl-5-methylene-, (4aS,8aR,9aS)-
  • Naphtho[2,3-b]furan-2(4H)-one, 4a,5,6,7,8,8a,9,9a-octahydro-9a-hydroxy-3,8a-dimethyl-5-methylene-, [4aS-(4aα,8aβ,9aβ)]-
  • (4aS,8aR,9aS)-4a,5,6,7,8,8a,9,9a-Octahydro-9a-hydroxy-3,8a-dimethyl-5-methylenenaphtho[2,3-b]furan-2(4H)-one
  • Atractylenolide III
  • Codonolactone

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