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2H-3,7a-Ethanocyclopenta[b]pyran-8-carbothioic acid, 5-[3-(diphenylphosphinyl)-1-methyl-2-propenyl]hexahydro-4a-methyl-2-oxo-, S-(1,1-dimethylethyl) ester, [3.alpha.,4a.beta.,5.beta.(1S*,2E),7a.alpha.,8R*]-
SpectraBase Compound ID Ih4LhUOuZqn
InChI InChI=1S/C32H39O4PS/c1-22(17-19-37(35,23-12-8-6-9-13-23)24-14-10-7-11-15-24)27-16-18-32-21-26(29(34)38-30(2,3)4)25(28(33)36-32)20-31(27,32)5/h6-15,17,19,22,25-27H,16,18,20-21H2,1-5H3/b19-17+/t22-,25+,26?,27+,31+,32+/m1/s1
InChIKey RJYFRNQLJCGMNK-AHFCAWPQSA-N
Mol Weight 550.7 g/mol
Molecular Formula C32H39O4PS
Exact Mass 550.230668 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E0TS6ouQGvx
Name 2H-3,7a-Ethanocyclopenta[b]pyran-8-carbothioic acid, 5-[3-(diphenylphosphinyl)-1-methyl-2-propenyl]hexahydro-4a-methyl-2-oxo-, S-(1,1-dimethylethyl) ester, [3.alpha.,4a.beta.,5.beta.(1S*,2E),7a.alpha.,8R*]-
CAS Registry Number 131244-12-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H39O4PS
InChI InChI=1S/C32H39O4PS/c1-22(17-19-37(35,23-12-8-6-9-13-23)24-14-10-7-11-15-24)27-16-18-32-21-26(29(34)38-30(2,3)4)25(28(33)36-32)20-31(27,32)5/h6-15,17,19,22,25-27H,16,18,20-21H2,1-5H3/b19-17+/t22-,25+,26?,27+,31+,32+/m1/s1
InChIKey RJYFRNQLJCGMNK-AHFCAWPQSA-N
Molecular Weight 550.694 g/mol
SMILES [C@@]123[C@@](C[C@](C(C3)C(SC(C)(C)C)=O)([H])C(O1)=O)([C@]([C@@](\C=C\P(=O)(c1ccccc1)c1ccccc1)(C)[H])(CC2)[H])C
SPLASH splash10-08fr-4040900000-32d5cf188edb7068694b
Source of Spectrum B-43-1384-18
Synonyms S-(tert-butyl) (1S,4S,5S,7R)-4-[(1S,2E)-3-(diphenylphosphoryl)-1-methyl-2-propenyl]-5-methyl-8-oxo-9-oxatricyclo[5.2.2.0(1,5)]undecane-11-carbothioate S-t-butyl (1'RS,2'E,3SR,5SR,7aRS,8RS)-5-[3'-(diphenylphosphinoyl)-1'-methylprop-2'-enyl]-4a-methyl-2-oxo-hexahydro-3,7a-ethano-2H-cyclopenta[b]pyran-8-carbothioate
Wiley ID 1405756