Neobavaisoflavone

CAS Registry Number®

41060-15-5
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CAS Name

Neobavaisoflavone

Molecular Formula

C20H18O4

Molecular Mass

322.35

Cite this Page

Neobavaisoflavone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=41060-15-5 (retrieved 2024-04-29) (CAS RN: 41060-15-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    189-191 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C20H18O4/c1-12(2)3-4-14-9-13(5-8-18(14)22)17-11-24-19-10-15(21)6-7-16(19)20(17)23/h3,5-11,21-22H,4H2,1-2H3

InChIKey

InChIKey=OBGPEBYHGIUFBN-UHFFFAOYSA-N

SMILES

O=C1C(=COC=2C1=CC=C(O)C2)C3=CC(CC=C(C)C)=C(O)C=C3

Canonical SMILES

O=C1C(=COC2=CC(O)=CC=C12)C=3C=CC(O)=C(C3)CC=C(C)C

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 7-hydroxy-3-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-
  • 4H-1-Benzopyran-4-one, 7-hydroxy-3-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-
  • 7-Hydroxy-3-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-4H-1-benzopyran-4-one
  • Neobavaisoflavone

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