COMPOUND: C15456
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Entry
C15456 Compound
Name
11beta,13-Dihydroxy-3-oxo-13,17-secoandrosta-1,4-dien-17-oic acid, delta-lactone
Formula
C19H24O4
Exact mass
316.1675
Mol weight
316.3915
Structure
Mol file
KCF file
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Other DBs
PubChem:
17396453
ChEBI:
79953
NIKKAJI:
J2.794.487F
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KCF data
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ATOM 23
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 C1y C 28.1795 -18.6705
7 C1z C 30.5356 -18.6584
8 C1x C 28.1977 -22.7089
9 C2y C 27.0318 -22.0409
10 C2x 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 C2x C 25.8718 -22.7150
15 C2x C 24.7303 -20.7050
16 C5x C 24.7303 -22.0409
17 O1a O 26.9946 -17.9952
18 O5x O 23.4952 -22.7459
19 C1x C 31.7391 -20.7179
20 C1x C 32.9545 -20.0232
21 C7x C 32.9604 -18.6690
22 O7x O 31.7511 -17.9637
23 O6a O 34.1739 -17.9754
BOND 26
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 2
14 10 15 2
15 14 16 1
16 7 12 1
17 8 9 1
18 15 16 1
19 6 17 1 #Up
20 16 18 2
21 3 19 1
22 19 20 1
23 20 21 1
24 21 22 1
25 7 22 1
26 21 23 2
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