COMPOUND: C14926
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Entry
C14926 Compound
Name
3-Hydroxy-2-(4-morpholinylmethyl)estra-1,3,5(10)-trien-17-one;
2-Morpholinomethylestrone
Formula
C23H31NO3
Exact mass
369.2304
Mol weight
369.4971
Structure
Mol file
KCF file
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PubChem:
17395924
ChEBI:
79451
NIKKAJI:
J861.483K
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KCF data
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ATOM 27
1 C1y C 24.4376 -16.4537
2 C1y C 23.2583 -17.1477
3 C1z C 24.4437 -15.0841
4 C1x C 26.8083 -16.4660
5 C1y C 22.0730 -16.4660
6 C1x C 23.2337 -18.4990
7 C1x C 23.2461 -14.4085
8 C5x C 25.6353 -14.4025
9 C1a C 24.3515 -13.6286
10 C1x C 26.8143 -15.0963
11 C8y C 20.9060 -17.1539
12 C1x C 22.0606 -15.1026
13 C1x C 22.0853 -19.1807
14 O5x O 25.6353 -13.1332
15 C8y C 20.9060 -18.5051
16 C8x C 19.7329 -16.4844
17 C8x C 19.7329 -19.1869
18 C8y C 18.5782 -17.1539
19 C8y C 18.5782 -18.5051
20 O1a O 17.4175 -19.1684
21 C1b C 17.3424 -16.4417
22 N1y N 16.1402 -17.1371
23 C1x C 14.9551 -16.4542
24 C1x C 13.7433 -17.1552
25 O2x O 13.7444 -18.5552
26 C1x C 14.9295 -19.2381
27 C1x C 16.1414 -18.5371
BOND 31
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 2
14 11 15 2
15 11 16 1
16 15 17 1
17 16 18 2
18 17 19 2
19 19 20 1
20 7 12 1
21 8 10 1
22 13 15 1
23 18 19 1
24 18 21 1
25 21 22 1
26 22 23 1
27 23 24 1
28 24 25 1
29 25 26 1
30 26 27 1
31 22 27 1
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