KEGG   COMPOUND: C16251
Entry
C16251                      Compound                               

Name
3-epi-6-Deoxocathasterone
Formula
C28H50O2
Exact mass
418.3811
Mol weight
418.6954
Structure
Reaction
Pathway
map00905  Brassinosteroid biosynthesis
Enzyme
Other DBs
PubChem: 47205559
ChEBI: 59410
NIKKAJI: J1.831.611K
KCF data

ATOM        30
            1   C1x C    31.3526  -23.9933
            2   C1y C    31.3526  -25.3660
            3   C1x C    32.5413  -26.0524
            4   C1y C    33.7303  -25.3660
            5   C1z C    33.7303  -23.9933
            6   C1x C    32.5413  -23.3068
            7   C1x C    34.9190  -26.0524
            8   C1x C    36.1075  -25.3660
            9   C1y C    36.1075  -23.9933
            10  C1y C    34.9190  -23.3068
            11  C1y C    37.2964  -23.3068
            12  C1z C    37.2964  -21.9343
            13  C1x C    36.1075  -21.2480
            14  C1x C    34.9190  -21.9343
            15  C1x C    39.6741  -23.3068
            16  C1x C    39.6741  -21.9343
            17  C1y C    38.4852  -21.2480
            18  C1c C    38.4852  -19.8753
            19  C1c C    39.6780  -19.1867
            20  C1b C    40.8520  -19.8648
            21  C1c C    42.0151  -19.1931
            22  C1c C    43.1837  -19.8682
            23  C1a C    43.1837  -21.2477
            24  C1a C    33.7303  -22.6205
            25  C1a C    37.2964  -20.5620
            26  C1a C    37.2964  -19.1889
            27  C1a C    44.3723  -19.1817
            28  O1a O    39.6781  -17.7841
            29  O1a O    30.1569  -26.0560
            30  C1a C    42.0153  -17.7801
BOND        33
            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   15  16 1
            18   16  17 1
            19   12  17 1
            20   11  15 1
            21   17  18 1
            22   18  19 1
            23   19  20 1
            24   20  21 1
            25   21  22 1
            26   22  23 1
            27    5  24 1 #Up
            28   12  25 1 #Up
            29   18  26 1 #Down
            30   22  27 1
            31   19  28 1 #Up
            32    2  29 1 #Down
            33   21  30 1 #Up

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