KEGG   COMPOUND: C15333
Entry
C15333                      Compound                               
Name
3alpha-Hydroxy-5beta-pregn-16-ene-11,20-dione 3-acetate
Formula
C23H32O4
Exact mass
372.2301
Mol weight
372.4978
Structure
Other DBs
CAS: 4970-39-2
PubChem: 17396330
ChEBI: 79835
NIKKAJI: J203.211B
LinkDB
KCF data

ATOM        27
            1   C1y C    26.6870  -20.7306
            2   C1y C    25.5683  -20.0954
            3   C1y C    27.7943  -20.0837
            4   C1x C    26.6637  -22.0009
            5   C1z C    24.4728  -20.7423
            6   C5x C    25.5624  -18.8134
            7   C1z C    27.7943  -18.8018
            8   C1x C    30.0204  -20.0896
            9   C1x C    25.5800  -22.6419
            10  C1y C    24.4728  -22.0126
            11  C1x C    23.3715  -20.1130
            12  C1a C    24.4552  -19.2680
            13  C1x C    26.6754  -18.1667
            14  C2y C    28.9189  -18.1608
            15  C2x C    30.0261  -18.8077
            16  C1x C    23.3715  -22.6536
            17  C1x C    22.2876  -20.7423
            18  C5a C    28.9189  -16.9021
            19  C1y C    22.2876  -22.0126
            20  C1a C    30.0087  -16.2845
            21  C1a C    27.7943  -17.4018
            22  O5x O    24.3453  -18.1167
            23  O5a O    27.6886  -16.1857
            24  O7a O    21.0654  -22.7100
            25  C7a C    19.8470  -21.9986
            26  C1a C    18.6640  -22.6738
            27  O6a O    19.8536  -20.5802
BOND        30
            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    8  15 1
            15   10  16 1
            16   11  17 1
            17   14  18 1
            18   16  19 1
            19   18  20 1
            20    7  13 1
            21    9  10 1
            22   14  15 2
            23   17  19 1
            24    7  21 1 #Up
            25    6  22 2
            26   18  23 2
            27   19  24 1 #Down
            28   24  25 1
            29   25  26 1
            30   25  27 2

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