NCS
中国新化学物质查询
5α-孕烷-3,11,20-三酮(allopregnanetrione)
5alpha-Pregnane-3,11,20-trione, BB_NC-0585, Allopregnanetrione, P3421_FLUKA
CAS号: 2089-06-7
IUPAC名称: (5S,8S,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,4,5,6,7,8,9,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
分子式: C21H30O3
分子量: 330.46100
InChI: InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13,15-17,19H,4-11H2,1-3H3/t13-,15-,16+,17-,19+,20-,21+/m0/s1
InChIKey: AHRWWYGWQKBKBF-MUGXHADPSA-N
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)C4)C)C
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