COMPOUND: C15468
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Entry
C15468 Compound
Name
3,5-Cyclo-5alpha,17alpha-pregn-20-yne-6beta,17-diol
Formula
C21H30O2
Exact mass
314.2246
Mol weight
314.4617
Structure
Mol file
KCF file
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Other DBs
CAS:
7253-33-0
PubChem:
17396465
ChEBI:
79965
NIKKAJI:
J2.794.636D
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KCF data
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ATOM 23
1 C1y C 28.9970 -21.6406
2 C1y C 27.8783 -21.0054
3 C1y C 30.1043 -20.9937
4 C1x C 28.9737 -22.9109
5 C1z C 26.7828 -21.6523
6 C1x C 27.8724 -19.7234
7 C1z C 30.1043 -19.7118
8 C1x C 32.3304 -20.9996
9 C1y C 27.8900 -23.5519
10 C1z C 26.7828 -22.9226
11 C1x C 25.6815 -21.0230
12 C1a C 26.7652 -20.1780
13 C1x C 28.9854 -19.0767
14 C1z C 31.2289 -19.0708
15 C1x C 32.3361 -19.7177
16 C1x C 25.6815 -23.5636
17 C1x C 24.5976 -21.6523
18 O1a O 31.2289 -17.8121
19 C1y C 24.5976 -22.9226
20 C1a C 30.1043 -18.3118
21 O1a O 27.8900 -24.9519
22 C3b C 32.5812 -18.7085
23 C3a C 33.9335 -18.3461
BOND 27
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 8 15 1
15 10 16 1
16 11 17 1
17 14 18 1 #Up
18 16 19 1
19 7 13 1
20 9 10 1
21 14 15 1
22 17 19 1
23 7 20 1 #Up
24 19 10 1
25 9 21 1 #Up
26 14 22 1 #Down
27 22 23 3
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