COMPOUND: C15255
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Entry
C15255 Compound
Name
1-Methylestra-1,3,5(10),6-tetraene-3,17beta-diol
Formula
C19H24O2
Exact mass
284.1776
Mol weight
284.3927
Structure
Mol file
KCF file
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Other DBs
PubChem:
17396252
ChEBI:
79757
NIKKAJI:
J109.870E
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KCF data
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ATOM 21
1 C1y C 31.1620 -20.6137
2 C1y C 29.9869 -21.2886
3 C1z C 31.1679 -19.2641
4 C1x C 33.5646 -20.5730
5 C1y C 28.8175 -20.5963
6 C2x C 29.9869 -22.6442
7 C1x C 30.0101 -18.5773
8 C1y C 32.3491 -18.6007
9 C1a C 31.1620 -17.9084
10 C1x C 33.5127 -19.2929
11 C8y C 27.6365 -21.2771
12 C1x C 28.8294 -19.2463
13 C2x C 28.8057 -23.3134
14 C8y C 27.6307 -22.6326
15 C8y C 26.4611 -20.5963
16 C8x C 26.4611 -23.3075
17 C8x C 25.2222 -21.2771
18 C8y C 25.2160 -22.6326
19 O1a O 24.0224 -23.3400
20 O1a O 32.3668 -17.1837
21 C1a C 26.4764 -19.2180
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 2
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 18 19 1
23 8 20 1 #Up
24 15 21 1
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