KEGG   COMPOUND: C15000
Entry
C15000                      Compound                               
Name
17beta-(Benzoyloxy)-B-norandrost-4-en-3-one
Formula
C25H30O3
Exact mass
378.2195
Mol weight
378.5039
Structure
Other DBs
PubChem: 17395997
ChEBI: 79523
NIKKAJI: J2.791.503E
LinkDB
KCF data

ATOM        28
            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  -17.9595
            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   C2y C    20.3818  -17.9809
            10  C1x C    19.2401  -15.9891
            11  C1a C    20.3636  -15.0173
            12  C1x C    22.7015  -13.9304
            13  C1y C    25.0577  -13.9244
            14  C1a C    23.8855  -12.9863
            15  C1x C    26.2237  -14.6105
            16  C2x C    19.2218  -18.6550
            17  C1x C    18.0803  -16.6450
            18  C5x C    18.0803  -17.9809
            19  O5x O    16.8452  -18.6859
            20  O7a O    25.0647  -12.5300
            21  C7a C    26.2771  -11.8381
            22  C8y C    27.4622  -12.5304
            23  O6a O    26.2844  -10.4304
            24  C8x C    27.4550  -13.9299
            25  C8x C    28.6639  -14.6361
            26  C8x C    29.8799  -13.9423
            27  C8x C    29.8870  -12.5428
            28  C8x C    28.6782  -11.8366
BOND        32
            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     5   9 1
            9     5  10 1
            10    5  11 1 #Up
            11    6  12 1
            12    7  13 1
            13    7  14 1 #Up
            14    8  15 1
            15    9  16 2
            16   10  17 1
            17   16  18 1
            18    7  12 1
            19   13  15 1
            20   17  18 1
            21   18  19 2
            22   13  20 1 #Up
            23   20  21 1
            24   21  22 1
            25   21  23 2
            26   22  24 2
            27   24  25 1
            28   25  26 2
            29   26  27 1
            30   27  28 2
            31   22  28 1
            32    9   4 1

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