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3-[3'-(Benzyloxy)estra-1',3',5'(10')-trien-17'-yloxy]propyl benzoate
SpectraBase Compound ID 7XvfF4tIIRp
InChI InChI=1S/C35H40O4/c1-35-20-19-30-29-16-14-28(39-24-25-9-4-2-5-10-25)23-27(29)13-15-31(30)32(35)17-18-33(35)37-21-8-22-38-34(36)26-11-6-3-7-12-26/h2-7,9-12,14,16,23,30-33H,8,13,15,17-22,24H2,1H3/t30?,31?,32?,33?,35-/m0/s1
InChIKey LCQRNPLVMOOREB-GNFNQKJKSA-N
Mol Weight 524.7 g/mol
Molecular Formula C35H40O4
Exact Mass 524.29266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1LvgOuI5k37
Name 3-[3'-(Benzyloxy)estra-1',3',5'(10')-trien-17'-yloxy]propyl benzoate
Alternate Name(s) 3-{[3-(benzyloxy)estra-1,3,5(10)-trien-17-yl]oxy}propyl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H40O4
InChI InChI=1S/C35H40O4/c1-35-20-19-30-29-16-14-28(39-24-25-9-4-2-5-10-25)23-27(29)13-15-31(30)32(35)17-18-33(35)37-21-8-22-38-34(36)26-11-6-3-7-12-26/h2-7,9-12,14,16,23,30-33H,8,13,15,17-22,24H2,1H3/t30?,31?,32?,33?,35-/m0/s1
InChIKey LCQRNPLVMOOREB-GNFNQKJKSA-N
Molecular Weight 524.701 g/mol
SMILES [C@@]12(C(C3CCc4c(C3CC2)ccc(c4)OCc2ccccc2)CCC1OCCCOC(=O)c1ccccc1)C
SPLASH splash10-0006-9200040000-184ffb0a2785467bbfb0
Source of Spectrum U-1995-1627-24
Wiley ID 767638