COMPOUND: C15388
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Entry
C15388 Compound
Name
3-Methoxy-19-nor-17alpha-pregna-1,3,5(10),20-tetraen-17-ol;
17-Vinylestradiol 3-methyl ether
Formula
C21H28O2
Exact mass
312.2089
Mol weight
312.4458
Structure
Mol file
KCF file
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Other DBs
PubChem:
17396385
ChEBI:
79889
NIKKAJI:
J111.455G
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KCF data
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ATOM 23
1 C1y C 26.6870 -20.7306
2 C1y C 25.5683 -20.0954
3 C1y C 27.7943 -20.0837
4 C1x C 26.6637 -22.0009
5 C8y C 24.4728 -20.7423
6 C1x C 25.5624 -18.8134
7 C1z C 27.7943 -18.8018
8 C1x C 30.0204 -20.0896
9 C1x C 25.5800 -22.6419
10 C8y C 24.4728 -22.0126
11 C8x C 23.3715 -20.1130
12 C1x C 26.6754 -18.1667
13 C1z C 28.9189 -18.1608
14 C1x C 30.0261 -18.8077
15 C8x C 23.3715 -22.6536
16 C8x C 22.2876 -20.7423
17 C2b C 28.9189 -16.9021
18 C8y C 22.2876 -22.0126
19 C2a C 30.0087 -16.2845
20 C1a C 27.7943 -17.4018
21 O1a O 30.2712 -17.7984
22 O2a O 21.0654 -22.7100
23 C1a C 19.8470 -21.9986
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 4 9 1
9 5 10 2
10 5 11 1
11 6 12 1
12 7 13 1
13 8 14 1
14 10 15 1
15 11 16 2
16 13 17 1 #Down
17 15 18 2
18 17 19 2
19 7 12 1
20 9 10 1
21 13 14 1
22 16 18 1
23 7 20 1 #Up
24 13 21 1 #Up
25 18 22 1
26 22 23 1
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