KEGG   COMPOUND: C14658Help
Entry
C14658                      Compound                               

Name
Pregnenolone acetate;
3beta-Hydroxypregn-5-en-20-one acetate
Formula
C23H34O3
Exact mass
358.2508
Mol weight
358.5143
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 1778-02-5
PubChem: 17395658
ChEBI: 34930
ChEMBL: CHEMBL1570078 CHEMBL1892286
NIKKAJI: J22.710B
LinkDB All DBs
KCF data Show

ATOM        26
            1   C1x C    21.0487  -21.3705
            2   C1y C    21.0487  -22.7321
            3   C1x C    22.2278  -23.4128
            4   C2y C    23.4068  -22.7321
            5   C1z C    23.4068  -21.3705
            6   C1x C    22.2278  -20.6898
            7   C2x C    24.5860  -23.4128
            8   C1x C    25.7650  -22.7321
            9   C1y C    25.7650  -21.3705
            10  C1y C    24.5860  -20.6898
            11  C1y C    26.9442  -20.6898
            12  C1z C    26.9442  -19.3284
            13  C1x C    25.7650  -18.6477
            14  C1x C    24.5860  -19.3284
            15  C1x C    29.3022  -20.6898
            16  C1x C    29.3022  -19.3284
            17  C1y C    28.1231  -18.6477
            18  C1a C    26.9712  -17.9670
            19  C5a C    28.1283  -17.2862
            20  C1a C    23.4038  -19.9699
            21  C1a C    29.3127  -16.6085
            22  O7a O    19.8448  -23.4274
            23  O5a O    26.9290  -16.5875
            24  C7a C    18.6166  -22.7180
            25  C1a C    17.3929  -23.4239
            26  O6a O    18.6171  -21.3500
BOND        29
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 2
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21   12  18 1 #Up
            22   17  19 1 #Up
            23    5  20 1 #Up
            24   19  21 1
            25    2  22 1 #Up
            26   19  23 2
            27   22  24 1
            28   24  25 1
            29   24  26 2

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