KEGG   COMPOUND: C14503
Entry
C14503                      Compound                               
Name
16-Dehydropregnenolone acetate;
3beta-Acetyloxy-pregna-5,16-dien-20-one
Formula
C23H32O3
Exact mass
356.2351
Mol weight
356.4984
Structure
Other DBs
CAS: 979-02-2
PubChem: 17395503
ChEBI: 34163
NIKKAJI: J22.711K
LinkDB
KCF data

ATOM        26
            1   C1z C    24.4122  -15.3197
            2   C2y C    25.5938  -14.6445
            3   C1y C    24.4007  -16.6875
            4   C1x C    23.2422  -14.6386
            5   C1a C    24.4064  -13.9578
            6   C2x C    26.7753  -15.3314
            7   C5a C    25.5823  -13.2767
            8   C1y C    23.2190  -17.3627
            9   C1x C    26.7638  -16.6991
            10  C1x C    22.0550  -15.3081
            11  C1y C    22.0433  -16.6701
            12  C1x C    23.2190  -18.7307
            13  C1z C    20.8615  -17.3452
            14  C2x C    22.0316  -19.4060
            15  C2y C    20.8559  -18.7191
            16  C1x C    19.6858  -16.6642
            17  C1x C    19.6858  -19.4000
            18  C1x C    18.5042  -17.3452
            19  C1y C    18.5042  -18.7191
            20  O7a O    17.3168  -19.3943
            21  C1a C    20.8497  -15.9832
            22  O5a O    24.3469  -12.5771
            23  C1a C    26.7780  -12.5726
            24  C7a C    16.0873  -18.6734
            25  C1a C    14.8728  -19.3639
            26  O6a O    16.0967  -17.2900
BOND        29
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 2
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    8  11 1
            11    8  12 1
            12   11  13 1
            13   12  14 1
            14   13  15 1
            15   13  16 1
            16   15  17 1
            17   16  18 1
            18   17  19 1
            19   19  20 1 #Up
            20    6   9 1
            21   10  11 1
            22   14  15 2
            23   18  19 1
            24   13  21 1 #Up
            25    7  22 2
            26    7  23 1
            27   20  24 1
            28   24  25 1
            29   24  26 2

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