COMPOUND: C14972
Help
Entry
C14972 Compound
Name
3-Deoxyestrone;
Adopron;
Estra-1,3,5(10)-trien-17-one
Formula
C18H22O
Exact mass
254.1671
Mol weight
254.3667
Structure
Mol file
KCF file
DB search
Other DBs
CAS:
53-45-2
PubChem:
17395970
ChEBI:
79496
NIKKAJI:
J79.401E
LinkDB
All DBs
KCF data
Show
ATOM 19
1 C1y C 30.5432 -20.2933
2 C1y C 29.3705 -20.9668
3 C1z C 30.5491 -18.9465
4 C1x C 32.8709 -20.3226
5 C1y C 28.2036 -20.2760
6 C1x C 29.3705 -22.3196
7 C1x C 29.3937 -18.2612
8 C5x C 31.7278 -18.2845
9 C1a C 30.5432 -17.5936
10 C1x C 32.8890 -18.9753
11 C8y C 27.0250 -20.9553
12 C1x C 28.2154 -18.9288
13 C1x C 28.1918 -22.9874
14 C8y C 27.0192 -22.3080
15 C8x C 25.8521 -20.2760
16 C8x C 25.8521 -22.9815
17 C8x C 24.6157 -20.9553
18 C8x C 24.6095 -22.3080
19 O5x O 31.6756 -16.8705
BOND 22
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 3 9 1 #Up
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 1
13 11 14 2
14 11 15 1
15 14 16 1
16 15 17 2
17 16 18 2
18 7 12 1
19 8 10 1
20 13 14 1
21 17 18 1
22 8 19 2
» Japanese version
DBGET
integrated database retrieval system