KEGG   COMPOUND: C15023
Entry
C15023                      Compound                               
Name
19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate
Formula
C21H29ClO3
Exact mass
364.1805
Mol weight
364.9062
Structure
Other DBs
PubChem: 17396020
ChEBI: 79546
NIKKAJI: J2.791.703H
LinkDB
KCF data

ATOM        25
            1   C1y C    22.7075  -16.6328
            2   C1y C    21.5417  -15.9648
            3   C1y C    23.8797  -15.9526
            4   C1x C    22.6891  -18.0295
            5   C1z C    20.3818  -16.6450
            6   C1x C    21.5295  -14.6105
            7   C1z C    23.8856  -14.5984
            8   C1x C    26.2237  -15.9586
            9   C2x C    21.5477  -18.6489
            10  C2y C    20.3818  -17.9809
            11  C1x C    19.2401  -15.9891
            12  C1b C    20.3636  -15.0173
            13  C1x C    22.7015  -13.9304
            14  C5x C    25.0577  -13.9244
            15  C1a C    23.8855  -12.9863
            16  C1x C    26.2237  -14.6105
            17  C1x C    19.2218  -18.6550
            18  C1x C    18.0803  -16.6450
            19  C1y C    18.0803  -17.9809
            20  O5x O    25.0647  -12.5300
            21  X   Cl   19.1622  -14.3420
            22  O7a O    16.8452  -18.6859
            23  C7a C    15.6566  -17.9917
            24  C1a C    14.4591  -18.6752
            25  O6a O    15.6635  -16.5901
BOND        28
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    5  12 1 #Up
            12    6  13 1
            13    7  14 1
            14    7  15 1 #Up
            15    8  16 1
            16   10  17 1
            17   11  18 1
            18   17  19 1
            19    7  13 1
            20    9  10 2
            21   14  16 1
            22   18  19 1
            23   14  20 2
            24   12  21 1
            25   19  22 1 #Up
            26   22  23 1
            27   23  24 1
            28   23  25 2

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