COMPOUND: C14947
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Entry
C14947 Compound
Name
17-Propylestra-1,3,5(10)-triene-3,17beta-diol diacetate
Formula
C25H34O4
Exact mass
398.2457
Mol weight
398.5351
Structure
Mol file
KCF file
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Other DBs
PubChem:
17395945
ChEBI:
79471
NIKKAJI:
J2.790.759H
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KCF data
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ATOM 29
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 C1z C 25.6801 -14.5373
9 C1a C 24.4873 -13.8414
10 C1x 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 O7a O 17.3940 -19.2680
21 C7a C 26.8995 -12.4549
22 C1a C 28.1022 -13.1429
23 O6a O 26.8937 -11.0601
24 C1b C 27.0801 -14.5373
25 C1b C 27.7924 -15.7710
26 C1a C 29.1898 -15.7709
27 C7a C 16.1515 -18.5432
28 C1a C 14.9471 -19.2315
29 O6a O 16.1578 -17.1501
BOND 32
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 14 21 1
25 21 22 1
26 21 23 2
27 8 24 1 #Down
28 24 25 1
29 25 26 1
30 20 27 1
31 27 28 1
32 27 29 2
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