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17-ALPHA-BENZYL-ESTRADIOL
SpectraBase Compound ID 8iz4dkn6iJJ
InChI InChI=1S/C25H30O2/c1-24-13-11-21-20-10-8-19(26)15-18(20)7-9-22(21)23(24)12-14-25(24,27)16-17-5-3-2-4-6-17/h2-6,8,10,15,21-23,26-27H,7,9,11-14,16H2,1H3/t21-,22-,23+,24+,25-/m1/s1
InChIKey HMIDDXLVYVRYHN-WJGLBBAVSA-N
Mol Weight 362.51 g/mol
Molecular Formula C25H30O2
Exact Mass 362.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FkadiLFOcOo
Name (8R,9S,13S,14S,17R)-13-methyl-17-(phenylmethyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Alternate Name(s) (8R,9S,13S,14S,17R)-17-benzyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
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Formula C25H30O2
InChI InChI=1S/C25H30O2/c1-24-13-11-21-20-10-8-19(26)15-18(20)7-9-22(21)23(24)12-14-25(24,27)16-17-5-3-2-4-6-17/h2-6,8,10,15,21-23,26-27H,7,9,11-14,16H2,1H3/t21-,22-,23+,24+,25-/m1/s1
InChIKey HMIDDXLVYVRYHN-WJGLBBAVSA-N
Molecular Weight 362.513 g/mol
SMILES O[C@]1(CC[C@]2([C@@]3(CCc4c(ccc(c4)O)[C@]3(CC[C@]12C)[H])[H])[H])Cc1ccccc1
SPLASH splash10-0mc3-2591000000-a563efe8e5d185fec910
Source of Spectrum F2-42-2284-2
Wiley ID 1600159