KEGG   COMPOUND: C14497
Entry
C14497                      Compound                               

Name
6beta-Hydroxytestosterone;
6beta,17beta-Dihydroxyandrost-4-en-3-one
Formula
C19H28O3
Exact mass
304.2038
Mol weight
304.4238
Structure
Other DBs
CAS: 62-99-7
PubChem: 17395497
ChEBI: 34477
ChEMBL: CHEMBL2074878
LIPIDMAPS: LMST02020054
NIKKAJI: J239.113I
KCF data

ATOM        22
            1   C1x C    19.6201  -20.5713
            2   C5x C    19.6201  -21.9311
            3   C2x C    20.7977  -22.6109
            4   C2y C    21.9752  -21.9311
            5   C1z C    21.9752  -20.5713
            6   C1x C    20.7977  -19.8915
            7   C1y C    23.1527  -22.6109
            8   C1x C    24.3303  -21.9311
            9   C1y C    24.3303  -20.5713
            10  C1y C    23.1527  -19.8915
            11  C1y C    25.5080  -19.8915
            12  C1z C    25.5080  -18.5318
            13  C1x C    24.3303  -17.8520
            14  C1x C    23.1527  -18.5318
            15  C1x C    27.8629  -19.8915
            16  C1x C    27.8629  -18.5318
            17  C1y C    26.6854  -17.8520
            18  C1a C    25.5349  -17.1722
            19  O1a O    26.6906  -16.4923
            20  O5x O    18.4010  -22.6353
            21  C1a C    21.9722  -19.1724
            22  O1a O    23.1700  -24.0100
BOND        25
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            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    2  20 2
            24    5  21 1 #Up
            25    7  22 1 #Up

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