Oleanolic acid
C30H48O3
508-02-1 Copyright (C) 2024 ACS
 36 40  0  0  1  0  0  0  0  0999 V2000
    7.4730    5.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4658    5.6716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7830    1.3163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2170    5.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9870    6.8516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6770    5.5178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9599    5.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6744    4.7108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7145    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5373    2.8504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6071    4.1841    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0671    4.1841    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3771    2.8504    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3771    5.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2971    2.8504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2971    5.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9172    2.8504    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6071    1.5168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9172    5.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7571    2.8504    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0671    1.5168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7571    5.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6872    4.1841    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6872    1.5168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9870    4.1841    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9870    1.5168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2272    4.1841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2272    1.5168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4470    4.1841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4470    1.5168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9972    2.8504    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6770    2.8504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7759    1.3629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5271    1.5168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4572    5.5178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 12  1  1  1  0  0  0
 13  2  1  6  0  0  0
 18  3  1  1  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
 26  4  1  1  0  0  0
  7 28  1  0  0  0  0
  8 28  1  0  0  0  0
  9 31  1  0  0  0  0
 10 31  1  0  0  0  0
 32 11  1  1  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 34  1  6  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 16 22  2  0  0  0  0
 17 23  1  0  0  0  0
 18 24  1  0  0  0  0
 18 25  1  0  0  0  0
 19 22  1  0  0  0  0
 20 24  1  0  0  0  0
 21 26  1  0  0  0  0
 21 27  1  0  0  0  0
 21 35  1  1  0  0  0
 23 26  1  0  0  0  0
 24 28  1  0  0  0  0
 24 36  1  6  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 27 31  1  0  0  0  0
 28 32  1  0  0  0  0
 29 32  1  0  0  0  0
 30 33  1  0  0  0  0
 31 33  1  0  0  0  0
M  END
> <cas.rn>
508-02-1

> <cas.index.name>
Olean-12-en-28-oic acid, 3-hydroxy-, (3β)-

> <molecular.formula>
C30H48O3

> <molecular.weight>
456.70

> <melting.point.experimental>
310 °C (decomp)

> <boiling.point.predicted>
553.550±50.00 °C    Press: 760.00 Torr

> <density.experimental>
1.10 g/cm³ (Solid)

> <pka.predicted>
4.641±0.70    Most Acidic Temp: 25 °C

$$$$
