KEGG   COMPOUND: C17044Help
Entry
C17044                      Compound                               

Name
Pachymic acid
Formula
C33H52O5
Exact mass
528.3815
Mol weight
528.763
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 29070-92-6
PubChem: 96023522
ChEBI: 80885
ChEMBL: CHEMBL468034
KNApSAcK: C00023810
NIKKAJI: J126.682I
LinkDB All DBs
KCF data Show

ATOM        38
            1   C1x C    16.3037  -10.7021
            2   C1y C    16.3037  -12.0914
            3   C1z C    17.5068  -12.7861
            4   C1y C    18.7100  -12.0914
            5   C1z C    18.7100  -10.7021
            6   C1x C    17.5068  -10.0075
            7   C1x C    19.9131  -12.7861
            8   C1x C    21.1161  -12.0914
            9   C2y C    21.1161  -10.7021
            10  C2y C    19.9131  -10.0075
            11  C1z C    22.3192  -10.0075
            12  C1z C    22.3193   -8.6183
            13  C1x C    21.1162   -7.9237
            14  C1x C    19.9131   -8.6183
            15  C1x C    24.7255  -10.0075
            16  C1y C    24.7255   -8.6183
            17  C1y C    23.5224   -7.9237
            18  C1c C    23.5224   -6.5345
            19  C6a C    22.3232   -5.8422
            20  C1b C    24.7308   -5.8399
            21  C1b C    25.9339   -6.5345
            22  C2c C    27.1369   -5.8399
            23  C1c C    28.3400   -6.5345
            24  C1a C    29.5432   -5.8399
            25  C1a C    28.3400   -7.9236
            26  C2a C    27.1369   -4.4506
            27  C1a C    22.3193   -7.3691
            28  O1a O    25.9158   -7.9309
            29  C1a C    22.3978  -11.2149
            30  C1a C    18.7100   -9.3130
            31  C1a C    16.8122  -13.9890
            32  C1a C    18.2015  -13.9890
            33  O6a O    21.1389   -6.5261
            34  O6a O    22.3231   -4.4508
            35  O7a O    15.1007  -12.7861
            36  C7a C    13.9199  -12.0914
            37  C1a C    12.7167  -12.7861
            38  O6a O    13.9255  -10.7022
BOND        41
            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 2
            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
            22   18  19 1 #Down
            23   18  20 1
            24   20  21 1
            25   21  22 1
            26   22  23 1
            27   23  24 1
            28   23  25 1
            29   22  26 2
            30   12  27 1 #Up
            31   16  28 1 #Down
            32   11  29 1 #Down
            33    5  30 1 #Up
            34    3  31 1
            35    3  32 1
            36   19  33 1
            37   19  34 2
            38    2  35 1 #Up
            39   35  36 1
            40   36  37 1
            41   36  38 2

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