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Estra-1,3,5(10)-trien-17-one, 11-hydroxy-3-methoxy-, cyclic 1,2-ethanediyl acetal, (11.alpha.)-
SpectraBase Compound ID HUlf6GeOHhE
InChI InChI=1S/C21H28O4/c1-20-12-18(22)19-15-6-4-14(23-2)11-13(15)3-5-16(19)17(20)7-8-21(20)24-9-10-25-21/h4,6,11,16-19,22H,3,5,7-10,12H2,1-2H3/t16-,17-,18+,19+,20-/m0/s1
InChIKey NDYHZQMFKQAULL-OMZCGLGVSA-N
Mol Weight 344.45 g/mol
Molecular Formula C21H28O4
Exact Mass 344.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID MblB0Ow0Bj
Name Estra-1,3,5(10)-trien-17-one, 11-hydroxy-3-methoxy-, cyclic 1,2-ethanediyl acetal, (11.alpha.)-
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Formula C21H28O4
InChI InChI=1S/C21H28O4/c1-20-12-18(22)19-15-6-4-14(23-2)11-13(15)3-5-16(19)17(20)7-8-21(20)24-9-10-25-21/h4,6,11,16-19,22H,3,5,7-10,12H2,1-2H3/t16-,17-,18+,19+,20-/m0/s1
InChIKey NDYHZQMFKQAULL-OMZCGLGVSA-N
Molecular Weight 344.451 g/mol
SMILES O[C@]1([C@@]2(c3c(cc(cc3)OC)CC[C@]2([C@]2([C@@](C3(OCCO3)CC2)(C1)C)[H])[H])[H])[H]
SPLASH splash10-0002-9122000000-6553a00d63b70ca13d9a
Source of Spectrum B-36-355-0
Synonyms (1'S,10'S,11'S,15'S,17'R)-5'-methoxy-15'-methylspiro[1,3-dioxolane-2,14'-tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecane]-2'(7'),3',5'-trien-17'-ol 17,17-Ethylenedioxy-3-methoxy-9.beta.-oestra-1,3,5(10)-trien-11.alpha.-ol 17,17-Ethylenedioxy-3-methoxyoestra-1,3,5(10)-trien-11.alpha.-ol Estra-1,3,5(10)-trien-17-one, 11.alpha.-hydroxy-3-methoxy-, cyclic ethylene acetal Spiro[17H-cyclopenta[a]phenanthrene-17,2'-[1,3]dioxolane], estra-1,3,5(10)-trien-17-one deriv.
Wiley ID 1338108