KEGG   COMPOUND: C14991
Entry
C14991                      Compound                               
Name
3beta,21-Dihydroxy-4,4,14-trimethyl-5alpha-pregn-8-en-20-one
Formula
C24H38O3
Exact mass
374.2821
Mol weight
374.5567
Structure
Other DBs
PubChem: 17395988
ChEBI: 79514
NIKKAJI: J2.791.490J
LinkDB
KCF data

ATOM        27
            1   C2y C    22.3470  -17.5806
            2   C2y C    21.2283  -16.9454
            3   C1z C    23.4543  -16.9337
            4   C1x C    22.3237  -18.8509
            5   C1z C    20.1328  -17.5923
            6   C1x C    21.2224  -15.6634
            7   C1z C    23.4543  -15.6518
            8   C1x C    25.6804  -16.9396
            9   C1x C    21.2400  -19.4919
            10  C1y C    20.1328  -18.8626
            11  C1x C    19.0315  -16.9630
            12  C1a C    20.1152  -16.1180
            13  C1x C    22.3354  -15.0167
            14  C1y C    24.5789  -15.0108
            15  C1x C    25.6861  -15.6577
            16  C1z C    19.0315  -19.5036
            17  C1x C    17.9476  -17.5923
            18  C5a C    24.5789  -13.7521
            19  C1y C    17.9476  -18.8626
            20  C1b C    25.6687  -13.1345
            21  C1a C    23.4543  -14.2518
            22  C1a C    23.4543  -18.3337
            23  O5a O    23.3486  -13.0357
            24  O1a O    16.7254  -19.5600
            25  O1a O    26.9026  -13.8598
            26  C1a C    17.9715  -20.8435
            27  C1a C    20.0214  -20.8435
BOND        30
            1     1   2 2
            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    8  15 1
            15   10  16 1
            16   11  17 1
            17   14  18 1 #Up
            18   16  19 1
            19   18  20 1
            20    7  13 1
            21    9  10 1
            22   14  15 1
            23   17  19 1
            24    7  21 1 #Up
            25    3  22 1 #Down
            26   18  23 2
            27   19  24 1 #Up
            28   20  25 1
            29   16  26 1
            30   16  27 1

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