COMPOUND: C15459
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Entry
C15459 Compound
Name
13-Hydroxy-2-(hydroxymethylene)-3-oxo-13,17-seco-5alpha-androstan-17-oic acid, delta-lactone
Formula
C20H28O4
Exact mass
332.1988
Mol weight
332.4339
Structure
Mol file
KCF file
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Other DBs
PubChem:
17396456
ChEBI:
79956
NIKKAJI:
J2.794.492B
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KCF data
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ATOM 24
1 C1y C 29.3575 -20.6928
2 C1y C 28.1917 -20.0248
3 C1y C 30.5297 -20.0126
4 C1x C 29.3391 -22.0895
5 C1z C 27.0318 -20.7050
6 C1x C 28.1795 -18.6705
7 C1z C 30.5356 -18.6584
8 C1x C 28.1977 -22.7089
9 C1y C 27.0318 -22.0409
10 C1x C 25.8901 -20.0491
11 C1a C 27.0136 -19.0773
12 C1x C 29.3515 -17.9904
13 C1a C 30.5355 -17.0463
14 C1x C 25.8718 -22.7150
15 C2y C 24.7303 -20.7050
16 C5x C 24.7303 -22.0409
17 C2b C 23.5126 -19.9945
18 O1a O 22.2917 -20.6919
19 O5x O 23.4952 -22.7459
20 C1x C 31.7391 -20.7179
21 C1x C 32.9545 -20.0232
22 C7x C 32.9604 -18.6690
23 O7x O 31.7511 -17.9637
24 O6a O 34.1739 -17.9754
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 4 8 1
8 5 9 1
9 5 10 1
10 5 11 1 #Up
11 6 12 1
12 7 13 1 #Up
13 9 14 1
14 10 15 1
15 14 16 1
16 7 12 1
17 8 9 1
18 15 16 1
19 15 17 2
20 17 18 1
21 16 19 2
22 3 20 1
23 20 21 1
24 21 22 1
25 22 23 1
26 7 23 1
27 22 24 2
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