CC[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@H]1OC(=O)CO

名称: 16β-ethyl-17β-glycoloyloxy-4-estren-3-one

IUPAC: [(8R,9S,10R,13S,14S,16S,17S)-16-ethyl-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] 2-hydroxyacetate

SMILES: CC[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@H]1OC(=O)CO

Canonical SMILES: CCC1CC2C3CCC4=CC(=O)CCC4C3CCC2(C1OC(=O)CO)C

分子式: C22H32O4

分子量: 360.50

InChIKey: JHGMSUCTFPHGDP-JOBVFTDHSA-N

InChI:

InChI=1S/C22H32O4/c1-3-13-11-19-18-6-4-14-10-15(24)5-7-16(14)17(18)8-9-22(19,2)21(13)26-20(25)12-23/h10,13,16-19,21,23H,3-9,11-12H2,1-2H3/t13-,16-,17+,18+,19-,21-,22-/m0/s1

PubChem CID: 70466441 →

同义词

SCHEMBL10889253JHGMSUCTFPHGDP-JOBVFTDHSA-N16beta-Ethyl-17beta-glycoloyloxy-4-estren-3-one

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