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17.alpha.-(2',3'-Epoxyprop-1'-yl)estra-1,3,5(10)-trien-3,17.beta.-diol
SpectraBase Compound ID GIddT2Byr01
InChI InChI=1S/C21H28O3/c1-20-8-6-17-16-5-3-14(22)10-13(16)2-4-18(17)19(20)7-9-21(20,23)11-15-12-24-15/h3,5,10,15,17-19,22-23H,2,4,6-9,11-12H2,1H3/t15?,17?,18?,19?,20?,21-/m1/s1
InChIKey LZPOVRNTTKDKQY-CRAHSDJHSA-N
Mol Weight 328.45 g/mol
Molecular Formula C21H28O3
Exact Mass 328.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 852weuNhmBm
Name 17.alpha.-(2',3'-Epoxyprop-1'-yl)estra-1,3,5(10)-trien-3,17.beta.-diol
Alternate Name(s) (17beta)-17-(2-oxiranylmethyl)estra-1,3,5(10)-triene-3,17-diol (17R)-13-methyl-17-(2-oxiranylmethyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol (17R)-13-methyl-17-(oxiran-2-ylmethyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol (17R)-17-glycidyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
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Formula C21H28O3
InChI InChI=1S/C21H28O3/c1-20-8-6-17-16-5-3-14(22)10-13(16)2-4-18(17)19(20)7-9-21(20,23)11-15-12-24-15/h3,5,10,15,17-19,22-23H,2,4,6-9,11-12H2,1H3/t15?,17?,18?,19?,20?,21-/m1/s1
InChIKey LZPOVRNTTKDKQY-CRAHSDJHSA-N
Molecular Weight 328.452 g/mol
SMILES Oc1ccc2c(CCC3C4C([C@@](CC4)(CC4OC4)O)(CCC23)C)c1
SPLASH splash10-0006-9001000000-280a84811e9fcc9e344c
Source of Spectrum E1-36-2981-6
Wiley ID 1574691