KEGG   COMPOUND: C08618Help
Entry
C08618                      Compound                               

Name
Betulin
Formula
C30H50O2
Exact mass
442.3811
Mol weight
442.7168
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Lupanes
    C08618  Betulin
BRITE hierarchy
Other DBs
CAS: 
473-98-3
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        32
            1   C1y C    27.7323  -14.4163
            2   C1y C    26.5328  -15.0884
            3   C1z C    28.9317  -15.1235
            4   C1z C    26.5152  -16.4632
            5   C1x C    25.3392  -14.3870
            6   C1x C    28.8954  -16.4926
            7   C1b C    30.1182  -15.8086
            8   C1z C    25.3158  -17.1482
            9   C1x C    27.6972  -17.1716
            10  C1a C    26.5035  -17.8439
            11  C1x C    24.1398  -15.0709
            12  O1a O    31.5048  -15.8086
            13  C1y C    24.1281  -16.4515
            14  C1x C    25.3158  -18.5348
            15  C1a C    26.0041  -15.6918
            16  C1z C    22.9169  -17.1365
            17  C1x C    24.1164  -19.2187
            18  C1y C    22.9110  -18.5231
            19  C1x C    21.7291  -16.4458
            20  C1a C    22.9053  -15.7501
            21  C1z C    21.7291  -19.2128
            22  C1x C    20.5251  -17.1365
            23  C1y C    20.5251  -18.5231
            24  C1a C    21.0219  -20.6164
            25  C1a C    22.4084  -20.5464
            26  O1a O    19.3256  -19.2070
            27  C1x C    29.9749  -14.2013
            28  C1x C    29.4203  -12.9242
            29  C1y C    28.0343  -13.0571
            30  C2c C    27.1088  -12.0103
            31  C1a C    25.7131  -12.2933
            32  C2a C    27.5427  -10.7152
BOND        36
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 1
            5     3   6 1
            6     3   7 1 #Up
            7     4   8 1
            8     4   9 1
            9     4  10 1 #Down
            10    5  11 1
            11    7  12 1
            12    8  13 1
            13    8  14 1
            14    8  15 1 #Up
            15   13  16 1
            16   14  17 1
            17   16  18 1
            18   16  19 1
            19   16  20 1 #Up
            20   18  21 1
            21   19  22 1
            22   21  23 1
            23   21  24 1
            24   21  25 1
            25   23  26 1 #Up
            26    6   9 1
            27   11  13 1
            28   17  18 1
            29   22  23 1
            30    3  27 1
            31   27  28 1
            32   28  29 1
            33    1  29 1
            34   29  30 1 #Down
            35   30  31 1
            36   30  32 2

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