COMPOUND: C14503
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Entry
C14503 Compound
Name
16-Dehydropregnenolone acetate;
3beta-Acetyloxy-pregna-5,16-dien-20-one
Formula
C23H32O3
Exact mass
356.2351
Mol weight
356.4984
Structure
Mol file
KCF file
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Other DBs
CAS:
979-02-2
PubChem:
17395503
ChEBI:
34163
NIKKAJI:
J22.711K
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KCF data
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ATOM 26
1 C1z C 24.4122 -15.3197
2 C2y C 25.5938 -14.6445
3 C1y C 24.4007 -16.6875
4 C1x C 23.2422 -14.6386
5 C1a C 24.4064 -13.9578
6 C2x C 26.7753 -15.3314
7 C5a C 25.5823 -13.2767
8 C1y C 23.2190 -17.3627
9 C1x C 26.7638 -16.6991
10 C1x C 22.0550 -15.3081
11 C1y C 22.0433 -16.6701
12 C1x C 23.2190 -18.7307
13 C1z C 20.8615 -17.3452
14 C2x C 22.0316 -19.4060
15 C2y C 20.8559 -18.7191
16 C1x C 19.6858 -16.6642
17 C1x C 19.6858 -19.4000
18 C1x C 18.5042 -17.3452
19 C1y C 18.5042 -18.7191
20 O7a O 17.3168 -19.3943
21 C1a C 20.8497 -15.9832
22 O5a O 24.3469 -12.5771
23 C1a C 26.7780 -12.5726
24 C7a C 16.0873 -18.6734
25 C1a C 14.8728 -19.3639
26 O6a O 16.0967 -17.2900
BOND 29
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 2
6 2 7 1
7 3 8 1
8 3 9 1
9 4 10 1
10 8 11 1
11 8 12 1
12 11 13 1
13 12 14 1
14 13 15 1
15 13 16 1
16 15 17 1
17 16 18 1
18 17 19 1
19 19 20 1 #Up
20 6 9 1
21 10 11 1
22 14 15 2
23 18 19 1
24 13 21 1 #Up
25 7 22 2
26 7 23 1
27 20 24 1
28 24 25 1
29 24 26 2
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