COMPOUND: C15345
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Entry
C15345 Compound
Name
3beta-[(Tetrahydro-2H-pyran-2-yl)oxy]androst-5-en-17beta-ol;
Androst-5-ene-3beta,17beta-diol 3-tetrahydropyranyl ether
Formula
C24H38O3
Exact mass
374.2821
Mol weight
374.5567
Structure
Mol file
KCF file
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Other DBs
PubChem:
17396342
ChEBI:
79847
NIKKAJI:
J146.216D
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KCF data
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ATOM 27
1 C1y C 27.0475 -19.7828
2 C1y C 25.8817 -19.1148
3 C1y C 28.2197 -19.1026
4 C1x C 27.0291 -21.1795
5 C1z C 24.7218 -19.7950
6 C1x C 25.8695 -17.7605
7 C1z C 28.2256 -17.7484
8 C1x C 30.5637 -19.1086
9 C2x C 25.8877 -21.7989
10 C2y C 24.7218 -21.1309
11 C1x C 23.5801 -19.1391
12 C1a C 24.7036 -18.1673
13 C1x C 27.0415 -17.0804
14 C1y C 29.3977 -17.0744
15 C1a C 28.2255 -16.1363
16 C1x C 30.5637 -17.7605
17 C1x C 23.5618 -21.8050
18 C1x C 22.4203 -19.7950
19 C1y C 22.4203 -21.1309
20 O1a O 29.4047 -15.6800
21 O2a O 21.1852 -21.8359
22 C1y C 19.9966 -21.1417
23 C1x C 20.0036 -19.7401
24 C1x C 18.7947 -19.0340
25 C1x C 17.5788 -19.7280
26 C1x C 17.5718 -21.1296
27 O2x O 18.7807 -21.8356
BOND 31
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 4 9 1
9 5 10 1
10 5 11 1
11 5 12 1 #Up
12 6 13 1
13 7 14 1
14 7 15 1 #Up
15 8 16 1
16 10 17 1
17 11 18 1
18 17 19 1
19 7 13 1
20 9 10 2
21 14 16 1
22 18 19 1
23 14 20 1 #Up
24 19 21 1 #Up
25 21 22 1
26 22 23 1
27 23 24 1
28 24 25 1
29 25 26 1
30 26 27 1
31 22 27 1
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