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3-Methoxy-15(.alpha.,.beta.)-{11'-[(tetrahydro-2''H-pyran-2''-yl)oxy]-1'-undecyl}-1,3,5(10)-estratriene-17-one
SpectraBase Compound ID 6FcMkCaq6VJ
InChI InChI=1S/C35H54O4/c1-35-21-20-30-29-19-17-28(37-2)24-26(29)16-18-31(30)34(35)27(25-32(35)36)14-10-8-6-4-3-5-7-9-12-22-38-33-15-11-13-23-39-33/h17,19,24,27,30-31,33-34H,3-16,18,20-23,25H2,1-2H3/t27?,30-,31-,33?,34-,35-/m1/s1
InChIKey IFJLRLVXCXTBMT-WAIUMRFISA-N
Mol Weight 538.8 g/mol
Molecular Formula C35H54O4
Exact Mass 538.40221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LpbwhXELQT7
Name 3-Methoxy-15(.alpha.,.beta.)-{11'-[(tetrahydro-2''H-pyran-2''-yl)oxy]-1'-undecyl}-1,3,5(10)-estratriene-17-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H54O4
InChI InChI=1S/C35H54O4/c1-35-21-20-30-29-19-17-28(37-2)24-26(29)16-18-31(30)34(35)27(25-32(35)36)14-10-8-6-4-3-5-7-9-12-22-38-33-15-11-13-23-39-33/h17,19,24,27,30-31,33-34H,3-16,18,20-23,25H2,1-2H3/t27?,30-,31-,33?,34-,35-/m1/s1
InChIKey IFJLRLVXCXTBMT-WAIUMRFISA-N
Molecular Weight 538.813 g/mol
SMILES [C@@]12([C@@]([C@@]3(CCc4c([C@]3(CC2)[H])ccc(OC)c4)[H])(C(CCCCCCCCCCCOC2OCCCC2)CC1=O)[H])C
SPLASH splash10-000i-6000900000-48fa50c8cc40e34e45e4
Source of Spectrum F-47-7759-11
Synonyms (14beta)-3-methoxy-15-[11-(tetrahydro-2H-pyran-2-yloxy)undecyl]estra-1,3,5(10)-trien-17-one 3-Methoxy-15(.alpha.,.beta.)-{11'-[(tetrahydro-2''h-pyran-2''-yl)oxy]-1'-undecyl}-1,3,5(10)-estratriene-17-one
Wiley ID 1404406