KEGG   COMPOUND: C16493
Entry
C16493                      Compound                               

Name
2,22,25-Trideoxyecdysone;
3beta,14alpha-Dihydroxy-5beta-cholest-7-en-6-one
Formula
C27H44O3
Exact mass
416.329
Mol weight
416.6365
Structure
Reaction
Pathway
map00981  Insect hormone biosynthesis
Enzyme
1.14.-.-
Other DBs
CAS: 39219-57-3
PubChem: 47205789
ChEBI: 19290
NIKKAJI: J658.879D
LinkDB
KCF data

ATOM        30
            1   C2y C    24.9600  -21.0662
            2   C1z C    26.1478  -20.3103
            3   C1y C    23.7723  -20.3917
            4   C2x C    25.0064  -22.5711
            5   C1z C    26.1535  -19.0020
            6   C1x C    28.5407  -20.2813
            7   O1a O    26.2118  -21.7524
            8   C1z C    22.5960  -21.0778
            9   C1x C    23.8308  -19.0136
            10  C5x C    23.7839  -23.1129
            11  C1y C    27.3470  -18.3103
            12  C1x C    24.9543  -18.3217
            13  C1a C    26.1418  -17.6241
            14  C1x C    28.5347  -19.0136
            15  C1y C    22.5960  -22.4384
            16  C1x C    21.4199  -20.4089
            17  C1a C    22.5840  -19.6998
            18  O5x O    23.8302  -24.3757
            19  C1c C    27.3528  -16.9725
            20  C1x C    21.4199  -23.1188
            21  C1x C    20.2610  -21.0778
            22  C1b C    28.5174  -16.3037
            23  C1a C    26.1535  -16.0088
            24  C1y C    20.2610  -22.4384
            25  C1b C    29.6822  -16.9841
            26  O1a O    19.0617  -23.1188
            27  C1b C    30.8352  -16.3095
            28  C1c C    31.9998  -16.9899
            29  C1a C    33.1645  -16.3153
            30  C1a C    31.9941  -18.6750
BOND        33
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Down
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    5  13 1 #Up
            13    6  14 1
            14    8  15 1
            15    8  16 1
            16    8  17 1 #Up
            17   10  18 2
            18   11  19 1 #Up
            19   15  20 1
            20   16  21 1
            21   19  22 1
            22   19  23 1 #Down
            23   20  24 1
            24   22  25 1
            25   24  26 1 #Up
            26   25  27 1
            27   27  28 1
            28   28  29 1
            29   28  30 1
            30    9  12 1
            31   10  15 1
            32   11  14 1
            33   21  24 1

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