KEGG   COMPOUND: C14631Help
Entry
C14631                      Compound                               

Name
5-Androstene-3beta,16alpha-diol;
3beta,16alpha-Dihydroxy-5-androstene;
Cetadiol
Formula
C19H30O2
Exact mass
290.2246
Mol weight
290.4403
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 3642-89-5
PubChem: 17395631
ChEBI: 34452
NIKKAJI: J61.643E
LinkDB All DBs
KCF data Show

ATOM        21
            1   C1x C    21.0972  -20.9992
            2   C1y C    21.0972  -22.3594
            3   C1x C    22.2751  -23.0394
            4   C2y C    23.4530  -22.3594
            5   C1z C    23.4530  -20.9992
            6   C1x C    22.2751  -20.3192
            7   C2x C    24.6309  -23.0394
            8   C1x C    25.8088  -22.3594
            9   C1y C    25.8088  -20.9992
            10  C1y C    24.6309  -20.3192
            11  C1y C    26.9867  -20.3192
            12  C1z C    26.9867  -18.9591
            13  C1x C    25.8088  -18.2791
            14  C1x C    24.6309  -18.9591
            15  C1x C    29.3424  -20.3192
            16  C1y C    29.3424  -18.9591
            17  C1x C    28.1645  -18.2791
            18  C1a C    27.0137  -17.5991
            19  O1a O    19.8777  -23.0638
            20  O1a O    30.5408  -18.2672
            21  C1a C    23.4500  -19.6000
BOND        24
            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    2  19 1 #Up
            23   16  20 1 #Down
            24    5  21 1 #Up

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