COMPOUND: C15262
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Entry
C15262 Compound
Name
3-Methoxyestra-1,3,5(10)-trien-16beta-ol;
16beta-Estradiol-3-methyl ether
Formula
C20H28O
Exact mass
284.214
Mol weight
284.4357
Structure
Mol file
KCF file
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Other DBs
PubChem:
17396259
ChEBI:
181361
79764
NIKKAJI:
J2.793.152I
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KCF data
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ATOM 21
1 C1y C 28.8400 -19.3200
2 C1y C 27.7200 -20.0200
3 C1z C 28.8400 -17.9900
4 C1x C 31.2200 -19.3200
5 C1y C 26.5300 -19.3200
6 C1x C 27.7200 -21.3500
7 C1x C 27.7200 -17.2900
8 C1x C 30.0300 -17.2900
9 C1a C 28.8400 -16.5900
10 C1y C 31.2200 -17.9900
11 C8y C 25.3400 -19.9500
12 C1x C 26.5300 -17.9200
13 C1x C 26.5300 -21.9800
14 C8y C 25.3400 -21.3500
15 C8x C 24.1500 -19.3200
16 C8x C 24.1500 -21.9800
17 C8x C 22.9600 -19.9500
18 C8y C 22.9600 -21.3500
19 C1a C 32.4100 -17.2900
20 O2a O 21.7700 -22.0500
21 C1a C 20.5800 -21.3500
BOND 24
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 10 19 1 #Up
23 18 20 1
24 20 21 1
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