KEGG   COMPOUND: C08955
Entry
C08955                      Compound                               
Name
beta-Hederin
Formula
C41H66O11
Exact mass
734.4605
Mol weight
734.9561
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Oleananes
    C08955  beta-Hederin
Other DBs
CAS: 35790-95-5
PubChem: 11147
ChEBI: 10419
KNApSAcK: C00003529
3DMET: B02557
NIKKAJI: J38.803C
LinkDB
KCF data

ATOM        52
            1   C1y C    17.8773  -19.2449
            2   C1y C    17.8425  -20.6462
            3   O2x O    16.6479  -18.5748
            4   O2a O    19.1441  -21.3243
            5   C1y C    16.7081  -21.3717
            6   C1x C    15.4543  -19.2928
            7   C1y C    19.1610  -22.7222
            8   C1y C    15.4817  -20.6963
            9   O1a O    16.7406  -22.7780
            10  C1y C    20.4628  -23.4003
            11  O2x O    17.9621  -23.4503
            12  O1a O    14.2824  -21.4244
            13  C1y C    20.4224  -24.8117
            14  O1a O    21.5992  -22.6828
            15  C1y C    17.9841  -24.8511
            16  C1y C    19.2128  -25.5343
            17  O1a O    21.6459  -25.4920
            18  C1a C    16.7848  -25.5793
            19  O1a O    19.1702  -26.9378
            20  C1z C    25.1643  -16.4601
            21  C1z C    26.3778  -15.7717
            22  C1y C    23.9567  -15.7541
            23  C1x C    25.1643  -17.8602
            24  C1a C    25.7826  -15.1240
            25  C2y C    26.3952  -14.3773
            26  C1x C    27.5678  -16.4775
            27  C1a C    26.3602  -17.1659
            28  C1z C    22.7374  -16.4484
            29  C1x C    23.9684  -14.3540
            30  C1x C    23.9450  -18.5603
            31  C1y C    27.6028  -13.6890
            32  C2x C    25.1877  -13.6599
            33  C1x C    28.7871  -15.8008
            34  C1y C    22.7317  -17.8485
            35  C1x C    21.5241  -15.7484
            36  C1a C    22.7258  -15.0424
            37  C1z C    28.8047  -14.4066
            38  C1x C    27.5504  -12.2948
            39  C1z C    21.5241  -18.5543
            40  C1x C    20.3108  -16.4484
            41  C1x C    30.0180  -13.7240
            42  C6a C    30.0063  -15.1007
            43  C1z C    28.8395  -11.6180
            44  C1y C    20.3108  -17.8485
            45  C1a C    20.8183  -19.7678
            46  C1a C    22.0899  -19.9078
            47  C1x C    30.0414  -12.3298
            48  O6a O    31.2197  -14.3949
            49  O6a O    30.0004  -16.5009
            50  C1a C    29.5338  -10.3988
            51  C1a C    28.1337  -10.3988
            52  O2a O    19.0915  -18.5543
BOND        58
            1    13  16 1
            2    13  17 1 #Down
            3    15  18 1 #Down
            4    16  19 1 #Up
            5     6   8 1
            6    15  16 1
            7     1   2 1
            8     1   3 1
            9     2   4 1 #Down
            10    2   5 1
            11    3   6 1
            12    7   4 1 #Up
            13    5   8 1
            14    5   9 1 #Up
            15    7  10 1
            16    7  11 1
            17    8  12 1 #Up
            18   10  13 1
            19   10  14 1 #Down
            20   11  15 1
            21   20  21 1
            22   20  22 1
            23   20  23 1
            24   20  24 1 #Up
            25   21  25 1
            26   21  26 1
            27   21  27 1 #Down
            28   22  28 1
            29   22  29 1
            30   23  30 1
            31   25  31 1
            32   25  32 2
            33   26  33 1
            34   28  34 1
            35   28  35 1
            36   28  36 1 #Up
            37   31  37 1
            38   31  38 1
            39   34  39 1
            40   35  40 1
            41   37  41 1
            42   37  42 1 #Up
            43   38  43 1
            44   39  44 1
            45   39  45 1
            46   39  46 1
            47   41  47 1
            48   42  48 1
            49   42  49 2
            50   43  50 1
            51   43  51 1
            52   44  52 1 #Up
            53   29  32 1
            54   30  34 1
            55   33  37 1
            56   40  44 1
            57   43  47 1
            58    1  52 1 #Up

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