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Estra-1,3,5(10)-trien-17-one, 9,11-epoxy-3-methoxy-, cyclic 1,2-ethanediyl acetal
SpectraBase Compound ID AyS585hMqeu
InChI InChI=1S/C21H26O4/c1-19-12-18-21(25-18)15-6-4-14(22-2)11-13(15)3-5-17(21)16(19)7-8-20(19)23-9-10-24-20/h4,6,11,16-18H,3,5,7-10,12H2,1-2H3/t16-,17-,18+,19-,21-/m0/s1
InChIKey JJIFALCPAYRJID-UNJWAJPSSA-N
Mol Weight 342.44 g/mol
Molecular Formula C21H26O4
Exact Mass 342.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cy94aaWK2to
Name Estra-1,3,5(10)-trien-17-one, 9,11-epoxy-3-methoxy-, cyclic 1,2-ethanediyl acetal
CAS Registry Number 5225-48-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O4
InChI InChI=1S/C21H26O4/c1-19-12-18-21(25-18)15-6-4-14(22-2)11-13(15)3-5-17(21)16(19)7-8-20(19)23-9-10-24-20/h4,6,11,16-18H,3,5,7-10,12H2,1-2H3/t16-,17-,18+,19-,21-/m0/s1
InChIKey JJIFALCPAYRJID-UNJWAJPSSA-N
Molecular Weight 342.435 g/mol
SMILES [C@@]123O[C@@]3(C[C@]3([C@]([C@@]1(CCc1c2ccc(OC)c1)[H])(CCC31OCCO1)[H])C)[H]
SPLASH splash10-0006-7759000000-908c82b752c5f007ae98
Source of Spectrum B-36-353-0
Synonyms (1'R,10'S,11'S,15'S,17'R)-5'-methoxy-15'-methyl-18'-oxaspiro[1,3-dioxolane-2,14'-pentacyclo[8.8.0.0(1,17).0(2,7).0(11,15)]octadecane]-2'(7'),3',5'-triene 9.alpha.,11.alpha.-epoxy-17,17-ethylenedioxy-3-methoxyoestra-1,3,5(10)-triene Estra-1,3,5(10)-trien-17-one, 9,11.alpha.-epoxy-3-methoxy-, cyclic ethylene acetal Spiro[1,3-dioxolane-2,17'(5'H)-[9,11]epoxy[9H]cyclopenta[a]phenanthre ne], estra-1,3,5(10)-trien-17-one deriv.
Wiley ID 1336787