Isobavachin

CAS Registry Number®

31524-62-6

CAS Name

Isobavachin

Molecular Formula

C20H20O4

Molecular Mass

324.37

Cite this Page

Isobavachin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=31524-62-6 (retrieved 2024-11-01) (CAS RN: 31524-62-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    187-188 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H20O4/c1-12(2)3-8-15-17(22)10-9-16-18(23)11-19(24-20(15)16)13-4-6-14(21)7-5-13/h3-7,9-10,19,21-22H,8,11H2,1-2H3/t19-/m0/s1

InChIKey

InChIKey=KYFBXCHUXFKMGQ-IBGZPJMESA-N

SMILES

C(C=C(C)C)C1=C2C(C(=O)C[C@H](O2)C3=CC=C(O)C=C3)=CC=C1O

Canonical SMILES

O=C1C2=CC=C(O)C(=C2OC(C3=CC=C(O)C=C3)C1)CC=C(C)C

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-, (2S)-
  • 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-butenyl)-, (S)-
  • Flavanone, 4′,7-dihydro-8-(3-methyl-2-butenyl)-
  • 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-butenyl)-, (2S)-
  • (2S)-2,3-Dihydro-7-hydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one

Deleted or Replaced CAS Registry Numbers

19879-33-5

CAS INSIGHTSTM
Adam Sanford and Orr Ravitz from CAS