COMPOUND: C14917
Help
Entry
C14917 Compound
Name
9-Thiocyanato-androst-4-ene-3,11,17-trione
Formula
C20H23NO3S
Exact mass
357.1399
Mol weight
357.4665
Structure
Mol file
KCF file
DB search
Other DBs
PubChem:
17395915
ChEBI:
79442
NIKKAJI:
J2.790.714H
LinkDB
All DBs
KCF data
Show
ATOM 25
1 C1y C 12.9500 -20.3700
2 C1z C 11.8300 -19.6700
3 C1y C 14.1400 -19.6700
4 C1x C 12.9500 -21.7700
5 C1z C 10.6400 -20.3700
6 C5x C 11.8300 -18.3400
7 C1z C 14.1400 -18.3400
8 C1x C 16.5200 -19.6700
9 C1x C 11.8300 -22.3300
10 C2y C 10.6400 -21.7000
11 C1x C 9.5200 -19.6700
12 C1a C 10.6400 -19.1100
13 C1x C 12.9500 -17.6400
14 C5x C 15.3300 -17.6400
15 C1a C 14.1400 -16.7300
16 C1x C 16.5200 -18.3400
17 C2x C 9.5200 -22.4000
18 C1x C 8.3300 -20.3700
19 C5x C 8.3300 -21.7000
20 O5x O 7.1400 -22.4000
21 O5x O 11.8300 -17.1500
22 O5x O 15.3300 -16.2400
23 S2a S 10.7800 -18.0600
24 C3b C 10.2200 -17.0800
25 N3a N 9.5200 -15.8676
BOND 28
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 1
11 5 12 1 #Up
12 6 13 1
13 7 14 1
14 7 15 1 #Up
15 8 16 1
16 10 17 2
17 11 18 1
18 17 19 1
19 7 13 1
20 9 10 1
21 14 16 1
22 18 19 1
23 19 20 2
24 6 21 2
25 14 22 2
26 2 23 1 #Down
27 23 24 1
28 24 25 3
» Japanese version
DBGET
integrated database retrieval system