KEGG   COMPOUND: C19987Help
Entry
C19987                      Compound                               

Name
Oleandrin
Formula
C32H48O9
Exact mass
576.3298
Mol weight
576.7181
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Steroids
   Cardanolide
    C19987  Oleandrin
Natural toxins [BR:br08009]
 Phytotoxins
  Glycosides
   Cardiac glycosides
    C19987  Oleandrin
BRITE hierarchy
Other DBs
CAS: 465-16-7
PubChem: 135626453
KCF data Show

ATOM        41
            1   C1x C    25.6758  -20.6694
            2   C1y C    25.6758  -22.0492
            3   C1x C    26.8707  -22.7391
            4   C1y C    28.0657  -22.0492
            5   C1z C    28.0657  -20.6694
            6   C1x C    26.8707  -19.9795
            7   C1x C    29.2606  -22.7391
            8   C1x C    30.4555  -22.0492
            9   C1y C    30.4555  -20.6694
            10  C1y C    29.2606  -19.9795
            11  C1z C    31.6505  -19.9795
            12  C1z C    31.6505  -18.5997
            13  C1x C    30.4555  -17.9098
            14  C1x C    29.2606  -18.5997
            15  C1x C    34.0403  -19.9795
            16  C1y C    34.0403  -18.5997
            17  C1y C    32.8454  -17.9098
            18  C2y C    32.8454  -16.5300
            19  C1x C    33.9652  -15.7164
            20  O7x O    33.5375  -14.4001
            21  C7x C    32.1534  -14.4001
            22  C2x C    31.7256  -15.7164
            23  O6a O    31.3408  -13.2817
            24  O7a O    35.2226  -17.9170
            25  C1a C    31.6505  -17.2199
            26  O1a O    31.6505  -21.3593
            27  C1a C    28.0657  -19.2898
            28  O2a O    24.4809  -22.7391
            29  C1y C    23.3026  -22.0587
            30  O2x O    23.3025  -20.6697
            31  C1y C    22.1076  -19.9798
            32  C1y C    20.9127  -20.6697
            33  C1y C    20.9127  -22.0588
            34  C1x C    22.1076  -22.7486
            35  O1a O    19.7197  -19.9810
            36  O2a O    19.7240  -22.7450
            37  C1a C    22.1076  -18.5998
            38  C1a C    18.5406  -22.0616
            39  C7a C    36.3948  -18.5938
            40  C1a C    37.5997  -17.8984
            41  O6a O    36.3945  -20.0200
BOND        46
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21   17  18 1 #Up
            22   18  19 1
            23   19  20 1
            24   20  21 1
            25   21  22 1
            26   18  22 2
            27   21  23 2
            28   16  24 1 #Up
            29   12  25 1 #Up
            30   11  26 1 #Up
            31    5  27 1 #Up
            32    2  28 1 #Up
            33   28  29 1
            34   29  30 1
            35   30  31 1
            36   31  32 1
            37   32  33 1
            38   33  34 1
            39   29  34 1
            40   32  35 1 #Up
            41   33  36 1 #Down
            42   31  37 1 #Down
            43   36  38 1
            44   24  39 1
            45   39  40 1
            46   39  41 2

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