Kamebakaurin
C20H30O5
73981-34-7 Copyright (C) 2024 ACS
 28 31  0  0  1  0  0  0  0  0999 V2000
    2.6524    7.8548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0052    8.8301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9097    8.8589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2827    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6813    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1218    8.1677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6715    1.8999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1892    3.9426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1994    5.6572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6715    6.5200    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6715    4.9800    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1828    5.6063    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0052    7.2901    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5935    7.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0052    4.2100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5935    4.1382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    5.7500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3389    6.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1048    6.9821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3389    4.9800    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0052    2.6700    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1048    4.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6725    4.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3389    1.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6725    2.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7787    3.4437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7525    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6725    5.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
 13  2  1  6  0  0  0
  3 14  2  0  0  0  0
  4  5  1  0  0  0  0
 15  4  1  6  0  0  0
  6 19  2  0  0  0  0
 21  7  1  6  0  0  0
  8 23  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  1  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 26  1  1  0  0  0
 12 17  1  1  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  1  0  0  0  0
 16 22  1  0  0  0  0
 17 19  1  0  0  0  0
 17 22  1  0  0  0  0
 17 27  1  6  0  0  0
 18 20  1  0  0  0  0
 20 23  1  0  0  0  0
 20 28  1  1  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
> <cas.rn>
73981-34-7

> <cas.index.name>
Kaur-16-en-15-one, 1,7,14,20-tetrahydroxy-, (1α,7α,14R)-

> <molecular.formula>
C20H30O5

> <molecular.weight>
350.45

> <melting.point.experimental>
232-234 °C

> <boiling.point.predicted>
563.485±50.00 °C    Press: 760.00 Torr

> <density.predicted>
1.304±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
13.010±0.70    Most Acidic Temp: 25 °C

$$$$
