KEGG   COMPOUND: C14243
Entry
C14243                      Compound                               
Name
3,3'-Dihydroxyhexestrol;
4,4'-(1,2-Diethylethylene)dipyrocatechol
Formula
C18H22O4
Exact mass
302.1518
Mol weight
302.3649
Structure
Other DBs
CAS: 79199-51-2
PubChem: 7847053
ChEBI: 34319
NIKKAJI: J125.944J
LinkDB
KCF data

ATOM        22
            1   C1c C    25.6434  -15.1651
            2   C1c C    25.6548  -16.5549
            3   C8y C    24.4281  -14.4731
            4   C1b C    26.8528  -14.4615
            5   C8y C    26.8645  -17.2526
            6   C1b C    24.4513  -17.2526
            7   C8x C    23.2185  -15.1651
            8   C8x C    24.4281  -13.0719
            9   C1a C    28.0622  -15.1535
            10  C8x C    26.8645  -18.6483
            11  C8x C    28.0739  -16.5490
            12  C1a C    23.2418  -16.5606
            13  C8y C    22.0091  -14.4731
            14  C8x C    23.2185  -12.3682
            15  C8x C    28.0798  -19.3460
            16  C8y C    29.2891  -17.2467
            17  C8y C    22.0091  -13.0719
            18  C8y C    29.2891  -18.6423
            19  O1a O    20.7938  -12.3682
            20  O1a O    30.4988  -19.3460
            21  O1a O    30.5199  -16.5346
            22  O1a O    20.7705  -15.1912
BOND        23
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 2
            10    5  11 1
            11    6  12 1
            12    7  13 1
            13    8  14 2
            14   10  15 1
            15   11  16 2
            16   13  17 2
            17   15  18 2
            18   17  19 1
            19   18  20 1
            20   14  17 1
            21   16  18 1
            22   16  21 1
            23   13  22 1

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