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(R10a,Ss)-1,1-Di(ethoxycarbonyl)-7-methoxy-2-p-tolylsulfinyl-1,9,10,10a-tetrahydrophenanthrene
SpectraBase Compound ID DKB7G1L8C0V
InChI InChI=1S/C28H30O6S/c1-5-33-26(29)28(27(30)34-6-2)24-15-9-19-17-20(32-4)10-13-22(19)23(24)14-16-25(28)35(31)21-11-7-18(3)8-12-21/h7-8,10-14,16-17,24H,5-6,9,15H2,1-4H3/t24-,35?/m1/s1
InChIKey OFQFXICICBGJMV-YAYCPNDQSA-N
Mol Weight 494.6 g/mol
Molecular Formula C28H30O6S
Exact Mass 494.17631 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6eWZ86PlRfg
Name (R10a,Ss)-1,1-Di(ethoxycarbonyl)-7-methoxy-2-p-tolylsulfinyl-1,9,10,10a-tetrahydrophenanthrene
Alternate Name(s) (R)-1,1-Di(ethoxycarbonyl)-7-methoxy-2-p-tolylsulfinyl-1,9,10,10a-tetrahydrophenanthrene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H30O6S
InChI InChI=1S/C28H30O6S/c1-5-33-26(29)28(27(30)34-6-2)24-15-9-19-17-20(32-4)10-13-22(19)23(24)14-16-25(28)35(31)21-11-7-18(3)8-12-21/h7-8,10-14,16-17,24H,5-6,9,15H2,1-4H3/t24-,35?/m1/s1
InChIKey OFQFXICICBGJMV-YAYCPNDQSA-N
Molecular Weight 494.602 g/mol
SMILES C1(C(S(c2ccc(cc2)C)=O)=CC=C2[C@]1(CCc1cc(OC)ccc21)[H])(C(=O)OCC)C(=O)OCC
SPLASH splash10-0pe9-2298300000-2d2334a8d1fc02f150e2
Source of Spectrum QC-8-415-9
Wiley ID 869760