COMPOUND: C14974
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Entry
C14974 Compound
Name
3-Methoxy-16-methylestra-1,3,5(10)-triene-16beta,17beta-diol 17-acetate
Formula
C22H30O4
Exact mass
358.2144
Mol weight
358.4712
Structure
Mol file
KCF file
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Other DBs
PubChem:
17395972
ChEBI:
79498
NIKKAJI:
J2.791.423C
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KCF data
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ATOM 26
1 C1y C 24.4873 -16.5606
2 C1y C 23.3060 -17.2390
3 C1z C 24.4931 -15.2040
4 C1x C 26.9021 -16.5898
5 C1y C 22.1306 -16.5430
6 C1x C 23.3060 -18.6014
7 C1x C 23.3294 -14.5139
8 C1y C 25.6801 -14.5373
9 C1a C 24.4873 -13.8414
10 C1z C 26.8498 -15.2331
11 C8y C 20.9436 -17.2273
12 C1x C 22.1423 -15.1863
13 C1x C 22.1189 -19.2739
14 O7a O 25.6744 -13.1690
15 C8y C 20.9378 -18.5897
16 C8x C 19.7624 -16.5430
17 C8x C 19.7624 -19.2680
18 C8x C 18.5170 -17.2273
19 C8y C 18.5811 -18.5897
20 O2a O 17.3940 -19.2680
21 O1a O 27.9931 -14.2314
22 C1a C 28.2020 -15.5955
23 C7a C 26.8995 -12.4549
24 C1a C 28.1022 -13.1429
25 O6a O 26.8937 -11.0601
26 C1a C 16.1515 -18.5432
BOND 29
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 10 21 1 #Up
25 10 22 1 #Down
26 14 23 1
27 23 24 1
28 23 25 2
29 20 26 1
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