COMPOUND: C15216
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Entry
C15216 Compound
Name
3-Methoxyestriol;
Estriol 3-methyl ether;
3-Methoxyestra-1,3,5(10)-triene-16alpha,17beta-diol
Formula
C19H26O3
Exact mass
302.1882
Mol weight
302.4079
Structure
Mol file
KCF file
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Other DBs
CAS:
1474-53-9
PubChem:
17396213
ChEBI:
79728
NIKKAJI:
J131.386J
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KCF data
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ATOM 22
1 C1y C 28.2332 -19.3833
2 C1y C 27.0605 -20.0568
3 C1z C 28.2391 -18.0365
4 C1x C 30.5609 -19.4126
5 C1y C 25.8936 -19.3660
6 C1x C 27.0605 -21.4096
7 C1x C 27.0837 -17.3512
8 C1y C 29.4178 -17.3745
9 C1a C 28.2332 -16.6836
10 C1y C 30.5790 -18.0653
11 C8y C 24.7150 -20.0453
12 C1x C 25.9054 -18.0188
13 C1x C 25.8818 -22.0774
14 C8y C 24.7092 -21.3980
15 C8x C 23.5421 -19.3660
16 C8x C 23.5421 -22.0715
17 C8x C 22.3057 -20.0453
18 C8y C 22.2995 -21.3980
19 O1a O 29.3656 -15.9605
20 O1a O 31.8113 -17.3756
21 O2a O 21.1084 -22.1040
22 C1a C 19.9189 -21.4352
BOND 25
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 1 #Up
23 10 20 1 #Down
24 18 21 1
25 21 22 1
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