KEGG   COMPOUND: C14947
Entry
C14947                      Compound                               
Name
17-Propylestra-1,3,5(10)-triene-3,17beta-diol diacetate
Formula
C25H34O4
Exact mass
398.2457
Mol weight
398.5351
Structure
Other DBs
PubChem: 17395945
ChEBI: 79471
NIKKAJI: J2.790.759H
LinkDB
KCF data

ATOM        29
            1   C1y C    24.4873  -16.5606
            2   C1y C    23.3060  -17.2390
            3   C1z C    24.4931  -15.2040
            4   C1x C    26.9021  -16.5898
            5   C1y C    22.1306  -16.5430
            6   C1x C    23.3060  -18.6014
            7   C1x C    23.3294  -14.5139
            8   C1z C    25.6801  -14.5373
            9   C1a C    24.4873  -13.8414
            10  C1x C    26.8498  -15.2331
            11  C8y C    20.9436  -17.2273
            12  C1x C    22.1423  -15.1863
            13  C1x C    22.1189  -19.2739
            14  O7a O    25.6744  -13.1690
            15  C8y C    20.9378  -18.5897
            16  C8x C    19.7624  -16.5430
            17  C8x C    19.7624  -19.2680
            18  C8x C    18.5170  -17.2273
            19  C8y C    18.5811  -18.5897
            20  O7a O    17.3940  -19.2680
            21  C7a C    26.8995  -12.4549
            22  C1a C    28.1022  -13.1429
            23  O6a O    26.8937  -11.0601
            24  C1b C    27.0801  -14.5373
            25  C1b C    27.7924  -15.7710
            26  C1a C    29.1898  -15.7709
            27  C7a C    16.1515  -18.5432
            28  C1a C    14.9471  -19.2315
            29  O6a O    16.1578  -17.1501
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     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    8  14 1 #Up
            14   11  15 2
            15   11  16 1
            16   15  17 1
            17   16  18 2
            18   17  19 2
            19   19  20 1
            20    7  12 1
            21    8  10 1
            22   13  15 1
            23   18  19 1
            24   14  21 1
            25   21  22 1
            26   21  23 2
            27    8  24 1 #Down
            28   24  25 1
            29   25  26 1
            30   20  27 1
            31   27  28 1
            32   27  29 2

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