COMPOUND: C14242
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Entry
C14242 Compound
Name
Mytatrienediol;
17-alpha-Methylestriol 3-methyl ether;
16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol
Formula
C20H28O3
Exact mass
316.2038
Mol weight
316.4345
Structure
Mol file
KCF file
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Other DBs
CAS:
5108-94-1
PubChem:
7847052
ChEBI:
34859
NIKKAJI:
J79.385J
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KCF data
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ATOM 23
1 C1y C 31.1018 -17.3582
2 C1y C 29.9589 -18.0146
3 C1z C 31.1074 -16.0457
4 C1x C 33.4377 -17.3859
5 C1y C 28.8219 -17.3412
6 C1x C 29.9589 -19.3325
7 C1x C 29.9817 -15.3780
8 C1y C 32.2559 -15.4005
9 C1a C 31.1018 -14.5919
10 C1z C 33.4571 -16.0738
11 C8y C 27.6732 -18.0032
12 C1x C 28.8335 -16.0284
13 C1x C 28.8104 -19.9833
14 O1a O 32.3203 -13.8060
15 C8y C 27.6678 -19.3212
16 C8x C 26.5305 -17.3412
17 C8x C 26.5305 -19.9776
18 C8x C 25.3260 -18.0032
19 C8y C 25.3180 -19.3212
20 O1a O 34.1821 -14.8510
21 C1a C 34.8125 -16.3920
22 O2a O 24.1034 -20.0847
23 C1a C 22.8668 -19.4313
BOND 26
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 8 14 1 #Up
14 11 15 2
15 11 16 1
16 15 17 1
17 16 18 2
18 17 19 2
19 7 12 1
20 8 10 1
21 13 15 1
22 18 19 1
23 10 20 1 #Up
24 10 21 1 #Down
25 19 22 1
26 22 23 1
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