Agrimonolide

CAS Registry Number®

21499-24-1
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CAS Name

Agrimonolide

Molecular Formula

C18H18O5

Molecular Mass

314.33

Cite this Page

Agrimonolide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=21499-24-1 (retrieved 2024-05-02) (CAS RN: 21499-24-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    175.5-176.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C18H18O5/c1-22-14-5-2-11(3-6-14)4-7-15-9-12-8-13(19)10-16(20)17(12)18(21)23-15/h2-3,5-6,8,10,15,19-20H,4,7,9H2,1H3/t15-/m0/s1

InChIKey

InChIKey=TYFJTEPDESMEHE-HNNXBMFYSA-N

SMILES

O=C1C=2C(C[C@H](CCC3=CC=C(OC)C=C3)O1)=CC(O)=CC2O

Canonical SMILES

O=C1OC(CC=2C=C(O)C=C(O)C12)CCC3=CC=C(OC)C=C3

Other Names for this Substance

  • 1H-2-Benzopyran-1-one, 3,4-dihydro-6,8-dihydroxy-3-[2-(4-methoxyphenyl)ethyl]-, (3S)-
  • Agrimonolide
  • Isocoumarin, 3,4-dihydro-6,8-dihydroxy-3-(p-methoxyphenethyl)-, (S)-
  • 1H-2-Benzopyran-1-one, 3,4-dihydro-6,8-dihydroxy-3-[2-(4-methoxyphenyl)ethyl]-, (S)-
  • (3S)-3,4-Dihydro-6,8-dihydroxy-3-[2-(4-methoxyphenyl)ethyl]-1H-2-benzopyran-1-one

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