Entry
Name
Ethisterone;
17alpha-Ethinyl testosterone;
Progestolets;
17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one
Formula
C21H28O2
Exact mass
312.2089
Mol weight
312.4458
Structure
Mol file KCF file DB search
Remark
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303 ]
G GENITO URINARY SYSTEM AND SEX HORMONES
G03 SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
G03D PROGESTOGENS
G03DC Estren derivatives
G03DC04 Ethisterone
C14487 Ethisterone
BRITE hierarchy
Other DBs
KCF data
Show ATOM 23
1 C1z C 29.7223 -18.5315
2 C1z C 30.9732 -17.8566
3 C1y C 29.7808 -19.8985
4 C1x C 28.6229 -17.8507
5 C1a C 29.7162 -17.1702
6 C1x C 32.1542 -18.5431
7 O1a O 30.9618 -16.2797
8 C3b C 32.1484 -17.1702
9 C1y C 28.5997 -20.5734
10 C1x C 32.1426 -19.9102
11 C1x C 27.4363 -18.5198
12 C3a C 33.3237 -16.4837
13 C1y C 27.4246 -19.8812
14 C1x C 28.5997 -21.9406
15 C1z C 26.2436 -20.5559
16 C1x C 27.4130 -22.6155
17 C2y C 26.2379 -21.9290
18 C1x C 25.0684 -19.8753
19 C2x C 25.0684 -22.6095
20 C1x C 23.8874 -20.5559
21 C5x C 23.8874 -21.9290
22 O5x O 22.7006 -22.6039
23 C1a C 26.2317 -19.1946
BOND 26
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1 #Up
7 2 8 1 #Down
8 3 9 1
9 3 10 1
10 4 11 1
11 8 12 3
12 9 13 1
13 9 14 1
14 13 15 1
15 14 16 1
16 15 17 1
17 15 18 1
18 17 19 2
19 18 20 1
20 19 21 1
21 21 22 2
22 6 10 1
23 11 13 1
24 16 17 1
25 20 21 1
26 15 23 1 #Up