COMPOUND: C14995
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Entry
C14995 Compound
Name
3-Methoxy-16-ethylestra-1,3,5(10)-triene-16beta,17beta-diol
Formula
C21H30O3
Exact mass
330.2195
Mol weight
330.4611
Structure
Mol file
KCF file
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Other DBs
PubChem:
17395992
ChEBI:
79518
NIKKAJI:
J2.791.493D
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KCF data
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ATOM 24
1 C1y C 20.3175 -16.5337
2 C1y C 19.1382 -17.2110
3 C1z C 20.3233 -15.1793
4 C1x C 22.5885 -16.5629
5 C1y C 17.9647 -16.5161
6 C1x C 19.1382 -18.5712
7 C1x C 19.1615 -14.4903
8 C1y C 21.5084 -14.5137
9 C1a C 20.3175 -13.8189
10 C1z C 22.6063 -15.2084
11 C8y C 16.7796 -17.1993
12 C1x C 17.9764 -15.1616
13 C1x C 17.9530 -19.2426
14 O1a O 21.5027 -13.1476
15 C8y C 16.7738 -18.5595
16 C8x C 15.6003 -16.5161
17 C8x C 15.6003 -19.2367
18 C8x C 14.4269 -17.1993
19 C8y C 14.4209 -18.5595
20 O2a O 13.2358 -19.2367
21 C1a C 11.9953 -18.5131
22 O1a O 23.3052 -13.9979
23 C1b C 23.8469 -15.9341
24 C1a C 25.0574 -15.2352
BOND 27
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 1 #Up
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 20 21 1
25 10 22 1 #Up
26 10 23 1 #Down
27 23 24 1
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