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3-[3'-(Hydroxy)estra-1',3',5'(10')-trien-17'-yloxy]propyl benzoate
SpectraBase Compound ID GVyxK7fbipE
InChI InChI=1S/C28H34O4/c1-28-15-14-23-22-11-9-21(29)18-20(22)8-10-24(23)25(28)12-13-26(28)31-16-5-17-32-27(30)19-6-3-2-4-7-19/h2-4,6-7,9,11,18,23-26,29H,5,8,10,12-17H2,1H3/t23?,24?,25?,26?,28-/m0/s1
InChIKey RRVNDZNSEAIPSD-WAKJXLRYSA-N
Mol Weight 434.6 g/mol
Molecular Formula C28H34O4
Exact Mass 434.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HlTUqT7ltI6
Name 3-[3'-(Hydroxy)estra-1',3',5'(10')-trien-17'-yloxy]propyl benzoate
Alternate Name(s) 3-{[3-hydroxyestra-1,3,5(10)-trien-17-yl]oxy}propyl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H34O4
InChI InChI=1S/C28H34O4/c1-28-15-14-23-22-11-9-21(29)18-20(22)8-10-24(23)25(28)12-13-26(28)31-16-5-17-32-27(30)19-6-3-2-4-7-19/h2-4,6-7,9,11,18,23-26,29H,5,8,10,12-17H2,1H3/t23?,24?,25?,26?,28-/m0/s1
InChIKey RRVNDZNSEAIPSD-WAKJXLRYSA-N
Molecular Weight 434.576 g/mol
SMILES Oc1cc2c(C3CC[C@]4(C(C3CC2)CCC4OCCCOC(=O)c2ccccc2)C)cc1
SPLASH splash10-0nn9-0940200000-5fdb4de848973946664e
Source of Spectrum U-1995-1627-25
Wiley ID 767637