COMPOUND: C15453
Help
Entry
C15453 Compound
Name
Doisynoestrol;
cis-1-Ethyl-1,2,3,4-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid
Formula
C19H22O3
Exact mass
298.1569
Mol weight
298.3762
Structure
Mol file
KCF file
DB search
Other DBs
CAS:
15372-34-6
PubChem:
17396450
ChEBI:
79951
NIKKAJI:
J2.794.483C
LinkDB
All DBs
KCF data
Show
ATOM 22
1 C8x C 11.7600 -18.9000
2 C8y C 11.7600 -20.3000
3 C8x C 12.9724 -21.0000
4 C8y C 14.1849 -20.3000
5 C8y C 14.1849 -18.9000
6 C8x C 12.9724 -18.2000
7 C8x C 15.3973 -21.0000
8 C8x C 16.6097 -20.3000
9 C8y C 16.6097 -18.9000
10 C8y C 15.3973 -18.2000
11 C1y C 17.8222 -18.2000
12 C1z C 17.8222 -16.8000
13 C1x C 16.6097 -16.1000
14 C1x C 15.3973 -16.8000
15 C1b C 19.0553 -18.9122
16 C1a C 20.2615 -18.2160
17 C6a C 19.0553 -16.0878
18 O6a O 20.2615 -16.7840
19 O6a O 19.0550 -14.7001
20 C1a C 17.8222 -15.4000
21 O2a O 10.5476 -21.0000
22 C1a C 9.3521 -20.3096
BOND 24
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 2
9 8 9 1
10 9 10 2
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 #Up
18 15 16 1
19 12 17 1 #Up
20 17 18 1
21 17 19 2
22 12 20 1 #Down
23 2 21 1
24 21 22 1
» Japanese version
DBGET
integrated database retrieval system