Mol:
15262-86-9.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0 0 0 0 0 0 0
4.0808 13.4418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3614 15.0118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3614 16.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7211 17.3668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7211 18.9368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0808 16.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0808 15.0118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0003 14.2266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 12.6551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END
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异己酸睾酮 MDL: MFCD00133848
异己酸睾酮 InChIKey: PPYHLSBUTAPNGT-BKWLFHPQSA-N
异己酸睾酮 Inchi: InChI=1S/C25H38O3/c1-16(2)5-10-23(27)28-22-9-8-20-19-7-6-17-15-18(26)11-13-24(17,3)21(19)12-14-25(20,22)4/h15-16,19-22H,5-14H2,1-4H3/t19-,20-,21-,22-,24-,25-/m0/s1
异己酸睾酮 SMILES: CC(C)CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C