COMPOUND: C14593 Help
Entry
Name
Epimestrol;
3-Methoxy-17-epiestriol;
3-Methoxyestra-1,3,5(10)-triene-16alpha,17alpha-diol
Formula
C19H26O3
Exact mass
302.1882
Mol weight
302.4079
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
G03G GONADOTROPINS AND OTHER OVULATION STIMULANTS
G03GB Ovulation stimulants, synthetic
G03GB03 Epimestrol
D04021 Epimestrol (USAN/INN)
BRITE hierarchy
Other DBs
KCF data
Show ATOM 22
1 C8x C 19.9039 -18.8261
2 C8y C 19.9039 -20.1861
3 C8x C 21.0816 -20.8660
4 C8y C 22.2593 -20.1861
5 C8y C 22.2593 -18.8261
6 C8x C 21.0816 -18.1462
7 C1x C 23.4370 -20.8660
8 C1x C 24.6147 -20.1861
9 C1y C 24.6147 -18.8261
10 C1y C 23.4370 -18.1462
11 C1y C 25.7925 -18.1462
12 C1z C 25.7925 -16.7863
13 C1x C 24.6147 -16.1064
14 C1x C 23.4370 -16.7863
15 C1x C 28.1478 -18.1462
16 C1y C 28.1478 -16.7863
17 C1y C 26.9701 -16.1064
18 C1a C 25.7495 -15.4265
19 O1a O 26.9753 -14.7465
20 O1a O 29.3460 -16.0946
21 O2a O 18.6846 -20.8903
22 C1a C 17.4596 -20.1836
BOND 25
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
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 #Down
23 16 20 1 #Down
24 2 21 1
25 21 22 1
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