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3,6,10,13-Tetraoxabicyclo[13.3.1]nonadeca-1(19),15,17-triene, 19-methoxy-17-methyl-8-(phenylthio)-
SpectraBase Compound ID DBC2laim52A
InChI InChI=1S/C23H30O5S/c1-18-12-19-14-25-8-10-27-16-22(29-21-6-4-3-5-7-21)17-28-11-9-26-15-20(13-18)23(19)24-2/h3-7,12-13,22H,8-11,14-17H2,1-2H3
InChIKey PLCCAHDANXMCOO-UHFFFAOYSA-N
Mol Weight 418.55 g/mol
Molecular Formula C23H30O5S
Exact Mass 418.181395 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 77cSlNVDKDD
Name 3,6,10,13-Tetraoxabicyclo[13.3.1]nonadeca-1(19),15,17-triene, 19-methoxy-17-methyl-8-(phenylthio)-
Alternate Name(s) 19-Methoxy-17-methyl-8-(phenylsulfanyl)-3,6,10,13-tetraoxabicyclo[13.3.1]nonadeca-1(19),15,17-triene 19-Methoxy-17-methyl-8-phenylthio-3,6,10,13-tetraoxabicyclo[13.3.1]nonadeca-1(19),15,17-triene Methyl 17-methyl-8-(phenylsulfanyl)-3,6,10,13-tetraoxabicyclo[13.3.1]nonadeca-1(19),15,17-trien-19-yl ether
CAS Registry Number 122475-99-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H30O5S
InChI InChI=1S/C23H30O5S/c1-18-12-19-14-25-8-10-27-16-22(29-21-6-4-3-5-7-21)17-28-11-9-26-15-20(13-18)23(19)24-2/h3-7,12-13,22H,8-11,14-17H2,1-2H3
InChIKey PLCCAHDANXMCOO-UHFFFAOYSA-N
Molecular Weight 418.548 g/mol
SMILES c12c(c(COCCOCC(Sc3ccccc3)COCCOC1)cc(c2)C)OC
SPLASH splash10-0002-0930100000-38e723a42ad3f25b7a3b
Source of Spectrum B-41-1960-17
Wiley ID 1377192