6-Prenylnaringenin
C20H20O5
68236-13-5 Copyright (C) 2025 ACS
 25 27  0  0  1  0  0  0  0  0999 V2000
    4.6201    1.3338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9302    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0801    4.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101    5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.6687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201    6.6687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1704    2.6675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9302    2.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7002    4.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901    2.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7002    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2402    4.0012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9302    5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201    4.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2402    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0102    2.6675    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3901    5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5503    2.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3203    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3203    4.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8603    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8603    4.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6303    2.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2 13  2  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  8 19  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 19  2  0  0  0  0
 17 18  1  0  0  0  0
 18 20  1  6  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
> <cas.rn>
68236-13-5

> <ca.index.name>
4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(3-methyl-2-buten-1-yl)-, (2S)-

> <molecular.formula>
C20H20O5

> <smiles.canonical>
O=C1C2=C(O)C(=C(O)C=C2OC(C3=CC=C(O)C=C3)C1)CC=C(C)C

> <smiles.isomeric>
OC1=C2C(O[C@@H](CC2=O)C3=CC=C(O)C=C3)=CC(O)=C1CC=C(C)C

> <molecular.weight>
340.37

> <boiling.point.predicted>
604.212±55.00 °C    Press: 760.00 Torr

> <density.predicted>
1.314±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
8.063±0.40    Most Acidic Temp: 25 °C

$$$$
