Atractylenolide I

CAS Registry Number®

73069-13-3
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CAS Name

Atractylenolide I

Molecular Formula

C15H18O2

Molecular Mass

230.30

Cite this Page

Atractylenolide I.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=73069-13-3 (retrieved 2024-06-20) (CAS RN: 73069-13-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    121-123 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C15H18O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h8,12H,1,4-7H2,2-3H3/t12-,15+/m0/s1

InChIKey

InChIKey=ZTVSGQPHMUYCRS-SWLSCSKDSA-N

SMILES

C[C@]12[C@@](CC=3C(=C1)OC(=O)C3C)(C(=C)CCC2)[H]

Canonical SMILES

O=C1OC2=CC3(C)CCCC(=C)C3CC2=C1C

Other Names for this Substance

  • Naphtho[2,3-b]furan-2(4H)-one, 4a,5,6,7,8,8a-hexahydro-3,8a-dimethyl-5-methylene-, (4aS,8aS)-
  • Naphtho[2,3-b]furan-2(4H)-one, 4a,5,6,7,8,8a-hexahydro-3,8a-dimethyl-5-methylene-, (4aS-trans)-
  • (4aS,8aS)-4a,5,6,7,8,8a-Hexahydro-3,8a-dimethyl-5-methylenenaphtho[2,3-b]furan-2(4H)-one
  • Atractylenolide I

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