KEGG   DRUG: Cingestol
Entry
D03509                      Drug                                   
Name
Cingestol (USAN/INN)
Formula
C20H28O
Exact mass
284.2140
Mol weight
284.43
Structure
Simcomp
Efficacy
Contraceptive
Comment
Progestin
Other DBs
CAS: 16915-71-2
PubChem: 17397643
LigandBox: D03509
NIKKAJI: J9.057C
LinkDB
KCF data

ATOM        21
            1   C1x C    29.1679  -19.6903
            2   C1x C    29.1679  -21.0522
            3   C1x C    30.3473  -21.7331
            4   C2y C    31.5266  -21.0522
            5   C1y C    31.5266  -19.6903
            6   C1x C    30.3473  -19.0094
            7   C2x C    32.7060  -21.7331
            8   C1x C    33.8853  -21.0522
            9   C1y C    33.8853  -19.6903
            10  C1y C    32.7060  -19.0094
            11  C1y C    35.0648  -19.0094
            12  C1z C    35.0648  -17.6475
            13  C1x C    33.8853  -16.9667
            14  C1x C    32.7060  -17.6475
            15  C1x C    37.4234  -19.0094
            16  C1x C    37.4234  -17.6475
            17  C1z C    36.2441  -16.9667
            18  C1a C    35.0919  -16.2858
            19  O1a O    36.2493  -15.6049
            20  C3b C    37.5511  -16.6072
            21  C3a C    38.9026  -16.2450
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   17  19 1 #Up
            23   17  20 1 #Down
            24   20  21 3

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