KEGG   COMPOUND: C13183Help
Entry
C13183                      Compound                               

Name
beta-Cyclodextrin
Formula
C42H70O35
Exact mass
1134.3698
Mol weight
1134.9842
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: D02401
Brite
Pharmaceutical additives in Japan [BR:br08316]
 Stabilizing agent
  D02401  [108572] beta-Cyclodextrin
 Diluting agent
  D02401  [108572] beta-Cyclodextrin
 Solubilization agent
  D02401  [108572] beta-Cyclodextrin
BRITE hierarchy
Other DBs
CAS: 7585-39-9
PubChem: 585247
ChEBI: 495055
ChEMBL: CHEMBL415690
PDB-CCD: BCD[PDBj]
NIKKAJI: J245.583H
KCF data Show

ATOM        77
            1   C1y C    33.4984  -20.3127
            2   C1y C    32.1126  -20.3127
            3   O2x O    31.4309  -21.4932
            4   C1y C    32.1125  -22.7438
            5   C1y C    33.4983  -22.7440
            6   C1y C    34.1799  -21.4933
            7   C1y C    21.3187  -20.3130
            8   C1y C    20.6279  -21.5074
            9   C1y C    21.3089  -22.6885
            10  C1y C    22.6722  -22.6894
            11  C1y C    23.3628  -21.4949
            12  O2x O    22.6819  -20.3139
            13  C1y C    32.1326  -15.5743
            14  C1y C    31.4511  -16.7550
            15  O2x O    32.1326  -17.9357
            16  C1y C    33.4960  -17.9357
            17  C1y C    34.1776  -16.7550
            18  C1y C    33.4960  -15.5743
            19  C1y C    22.6834  -15.5743
            20  C1y C    21.3201  -15.5743
            21  C1y C    20.6384  -16.7550
            22  C1y C    21.3201  -17.9357
            23  C1y C    22.6834  -17.9357
            24  O2x O    23.3651  -16.7550
            25  C1y C    23.8641  -12.1662
            26  C1y C    23.8641  -13.5295
            27  C1y C    25.0447  -14.2112
            28  O2x O    26.2255  -13.5295
            29  C1y C    26.2255  -12.1662
            30  C1y C    25.0447  -11.4845
            31  C1b C    27.4061  -14.2112
            32  C1y C    28.5867  -13.5295
            33  C1y C    28.5867  -12.1662
            34  O2a O    27.4061  -11.4845
            35  O2x O    29.7674  -14.2112
            36  C1y C    30.9481  -13.5295
            37  C1y C    30.9481  -12.1662
            38  C1y C    29.7674  -11.4845
            39  O1a O    22.6835  -11.4845
            40  O1a O    29.7674  -10.1216
            41  O1a O    25.0447  -10.1215
            42  O2a O    22.6835  -14.2112
            43  O1a O    32.1326  -11.4823
            44  O2a O    32.1326  -14.2134
            45  O1a O    27.4061  -15.5744
            46  O1a O    35.5202  -16.7546
            47  O2a O    34.1832  -19.1254
            48  O1a O    20.6442  -14.4034
            49  O2a O    20.6332  -19.1248
            50  O1a O    19.2972  -16.7546
            51  C1b C    23.3811  -19.1443
            52  C1b C    25.0447  -15.9884
            53  C1b C    30.0674  -16.7553
            54  O1a O    34.1722  -14.4028
            55  O1a O    26.2090  -16.6607
            56  O1a O    29.3955  -17.9196
            57  O1a O    24.7501  -19.1446
            58  O1a O    19.2970  -21.5065
            59  O2a O    23.3501  -23.8649
            60  O2a O    31.4352  -23.8471
            61  O1a O    34.1695  -23.8371
            62  C1b C    24.7503  -21.4956
            63  O1a O    20.6459  -23.8359
            64  C1b C    31.4451  -19.1571
            65  O1a O    35.5204  -21.4935
            66  O1a O    30.0675  -19.1572
            67  O1a O    25.4286  -20.3223
            68  C1y C    26.6902  -23.8649
            69  O2x O    27.3750  -25.0507
            70  C1y C    28.7384  -25.0505
            71  C1y C    29.4198  -23.8698
            72  C1y C    28.7350  -22.6840
            73  C1y C    27.3716  -22.6841
            74  O1a O    29.4172  -21.5019
            75  C1b C    29.4276  -26.2449
            76  O1a O    26.6736  -21.4747
            77  O1a O    30.8166  -26.2444
BOND        84
            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     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12    7  12 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   13  18 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   23  24 1
            24   19  24 1
            25   25  26 1
            26   26  27 1
            27   27  28 1
            28   28  29 1
            29   29  30 1
            30   25  30 1
            31   32  31 1 #Down
            32   32  33 1
            33   33  34 1 #Up
            34   29  34 1 #Up
            35   32  35 1
            36   35  36 1
            37   36  37 1
            38   37  38 1
            39   33  38 1
            40   25  39 1 #Down
            41   38  40 1 #Down
            42   30  41 1 #Up
            43   26  42 1 #Up
            44   37  43 1 #Up
            45   36  44 1 #Up
            46   31  45 1
            47   19  42 1 #Up
            48   13  44 1 #Up
            49   17  46 1 #Up
            50   16  47 1 #Up
            51   20  48 1 #Up
            52   22  49 1 #Up
            53   21  50 1 #Down
            54   23  51 1 #Down
            55   27  52 1 #Down
            56   14  53 1 #Down
            57   18  54 1 #Down
            58   52  55 1
            59   53  56 1
            60   51  57 1
            61    7  49 1 #Up
            62    1  47 1 #Up
            63    8  58 1 #Up
            64   10  59 1 #Up
            65    4  60 1 #Up
            66    5  61 1 #Up
            67   11  62 1 #Down
            68    9  63 1 #Down
            69    2  64 1 #Down
            70    6  65 1 #Down
            71   64  66 1
            72   62  67 1
            73   68  69 1
            74   69  70 1
            75   70  71 1
            76   71  72 1
            77   72  73 1
            78   68  73 1
            79   71  60 1 #Down
            80   68  59 1 #Down
            81   72  74 1 #Up
            82   70  75 1 #Up
            83   73  76 1 #Down
            84   75  77 1

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