COMPOUND: C14628
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Entry
C14628 Compound
Name
4,5alpha-Dihydro-2-(hydroxymethylene)testosterone;
17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one
Formula
C20H30O3
Exact mass
318.2195
Mol weight
318.4504
Structure
Mol file
KCF file
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CAS:
4033-95-8
PubChem:
17395628
ChEBI:
34375
NIKKAJI:
J2.788.580B
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KCF data
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ATOM 23
1 C2y C 21.0972 -20.9992
2 C5x C 21.0972 -22.3594
3 C1x C 22.2751 -23.0394
4 C1y C 23.4530 -22.3594
5 C1z C 23.4530 -20.9992
6 C1x C 22.2751 -20.3192
7 C1x C 24.6309 -23.0394
8 C1x C 25.8088 -22.3594
9 C1y C 25.8088 -20.9992
10 C1y C 24.6309 -20.3192
11 C1y C 26.9867 -20.3192
12 C1z C 26.9867 -18.9591
13 C1x C 25.8088 -18.2791
14 C1x C 24.6309 -18.9591
15 C1x C 29.3424 -20.3192
16 C1x C 29.3424 -18.9591
17 C1y C 28.1645 -18.2791
18 C1a C 27.0137 -17.5991
19 O1a O 28.1697 -16.9190
20 O5x O 19.8777 -23.0638
21 C1a C 23.4500 -19.6000
22 C2b C 19.8649 -20.2875
23 O1a O 18.6584 -20.9839
BOND 26
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 11 15 1
18 15 16 1
19 16 17 1
20 12 17 1
21 12 18 1 #Up
22 17 19 1 #Up
23 2 20 2
24 5 21 1 #Up
25 1 22 2
26 22 23 1
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