Gypenoside L
C42H72O14
94987-09-4 Copyright (C) 2024 ACS
 60 65  0  0  1  0  0  0  0  0999 V2000
   16.3041    9.5361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4691    9.5231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9941    5.1342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5263    6.9885    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.5263    8.5285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0663    6.9885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5263    5.4485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.8601    9.2985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8601   10.8385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1937   11.6085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1937   13.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5273   10.8385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4800    4.0011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1029    8.5288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8173    9.5186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7800    4.0011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    6.6684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600    6.6684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    4.0011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4700    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600    1.3336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    9.3358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    9.3358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.6684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1700    8.0020    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.7100    8.0020    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.4000    6.6684    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.4000    9.3358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4800    6.6684    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.7404    9.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8600    6.6684    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.1700    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8600    9.3358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9863    6.9885    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.7100    5.3347    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.1474    8.5201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0900    8.0020    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.0900    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500    8.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500    5.3347    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7800    6.6684    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4700    5.3347    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9300    5.3347    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2400    4.0011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600    4.0011    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4700    2.6673    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9300    2.6673    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6200    6.6684    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8500    5.3347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    8.0020    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3100    5.3347    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3100    8.0020    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5400    6.6684    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.0014    5.1809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3852    5.4225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.1474    5.4570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3200    9.3358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 28  1  1  6  0  0  0
 29  2  1  1  0  0  0
 34  3  1  6  0  0  0
  4  5  1  6  0  0  0
  4  6  1  1  0  0  0
  4  7  1  0  0  0  0
  4 37  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 38 13  1  6  0  0  0
 14 42  1  0  0  0  0
 15 42  1  0  0  0  0
 43 16  1  1  0  0  0
 44 17  1  6  0  0  0
 45 17  1  6  0  0  0
 46 18  1  1  0  0  0
 51 18  1  6  0  0  0
 48 19  1  6  0  0  0
 20 21  1  0  0  0  0
 49 20  1  6  0  0  0
 50 22  1  1  0  0  0
 53 23  1  1  0  0  0
 24 25  1  0  0  0  0
 54 24  1  6  0  0  0
 55 26  1  6  0  0  0
 56 27  1  1  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 29 32  1  0  0  0  0
 29 33  1  0  0  0  0
 30 34  1  0  0  0  0
 30 35  1  0  0  0  0
 30 57  1  1  0  0  0
 31 36  1  0  0  0  0
 32 37  1  0  0  0  0
 32 38  1  0  0  0  0
 32 58  1  6  0  0  0
 33 39  1  0  0  0  0
 34 40  1  0  0  0  0
 34 41  1  0  0  0  0
 35 38  1  0  0  0  0
 36 40  1  0  0  0  0
 37 39  1  0  0  0  0
 37 59  1  1  0  0  0
 40 42  1  0  0  0  0
 40 60  1  1  0  0  0
 41 43  1  0  0  0  0
 42 44  1  0  0  0  0
 43 44  1  0  0  0  0
 45 46  1  0  0  0  0
 45 47  1  0  0  0  0
 46 48  1  0  0  0  0
 47 49  1  0  0  0  0
 48 50  1  0  0  0  0
 49 50  1  0  0  0  0
 51 52  1  0  0  0  0
 51 53  1  0  0  0  0
 52 54  1  0  0  0  0
 53 55  1  0  0  0  0
 54 56  1  0  0  0  0
 55 56  1  0  0  0  0
M  END
> <cas.rn>
94987-09-4

> <cas.index.name>
β-D-Glucopyranoside, (2α,3β,12β)-2,12,20-trihydroxydammar-24-en-3-yl 2-O-β-D-glucopyranosyl-

> <molecular.formula>
C42H72O14

> <molecular.weight>
801.01

> <boiling.point.predicted>
912.280±65.00 °C    Press: 760.00 Torr

> <density.predicted>
1.334±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
12.853±0.70    Most Acidic Temp: 25 °C

$$$$
