Mol:
16320-04-0.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0 0 0 0 0 0 0 0 0 0
5.6451 -2.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7430 -1.9199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1493 1.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5271 2.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8242 -0.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8076 -2.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8763 -0.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8680 -1.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9594 2.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6 1 1 1
2 22 2 0
3 4 1 0
3 6 1 0
3 9 1 1
3 11 1 0
4 5 1 0
4 7 1 1
5 10 1 0
5 12 1 6
6 8 1 0
6 17 1 0
7 8 1 0
9 18 1 0
10 13 1 0
10 14 2 0
11 13 2 0
12 15 1 0
14 16 1 0
14 19 1 0
15 16 1 0
16 20 2 0
17 23 3 0
19 21 1 0
20 22 1 0
21 22 1 0
M END
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孕三烯酮 MDL: MFCD00865561
孕三烯酮 InChIKey: BJJXHLWLUDYTGC-ANULTFPQSA-N
孕三烯酮 Inchi: 1S/C21H24O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,9,11,13,18-19,23H,3,5-8,10,12H2,1H3/t18-,19+,20+,21+/m1/s1
孕三烯酮 SMILES: O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=CC(CCC4=C3C=C[C@@]21CC)=O