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(1S,1'R)-1,8-Diethyl-1-(1'-hydroxy-2'-tosyloxy)ethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole
SpectraBase Compound ID IxzXkonwf4N
InChI InChI=1S/C24H29NO5S/c1-4-17-7-6-8-19-20-13-14-29-24(5-2,23(20)25-22(17)19)21(26)15-30-31(27,28)18-11-9-16(3)10-12-18/h6-12,21,25-26H,4-5,13-15H2,1-3H3/t21-,24-/m1/s1
InChIKey QOOKMFJAJJTSHV-ZJSXRUAMSA-N
Mol Weight 443.56 g/mol
Molecular Formula C24H29NO5S
Exact Mass 443.176644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7UY2fnSSUVm
Name (1S,1'R)-1,8-Diethyl-1-(1'-hydroxy-2'-tosyloxy)ethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole
Alternate Name(s) (2R)-2-[(1S)-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]-2-hydroxyethyl 4-methylbenzenesulfonate Toluene-4-sulfonic acid (R)-2-((S)-1,8-diethyl-1,3,4,9-tetrahydro-pyrano[3,4-b]indol-1-yl)-2-hydroxy-ethyl ester
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Formula C24H29NO5S
InChI InChI=1S/C24H29NO5S/c1-4-17-7-6-8-19-20-13-14-29-24(5-2,23(20)25-22(17)19)21(26)15-30-31(27,28)18-11-9-16(3)10-12-18/h6-12,21,25-26H,4-5,13-15H2,1-3H3/t21-,24-/m1/s1
InChIKey QOOKMFJAJJTSHV-ZJSXRUAMSA-N
Molecular Weight 443.558 g/mol
SMILES [nH]1c2c(cccc2c2c1[C@@]([C@@](COS(c1ccc(cc1)C)(=O)=O)(O)[H])(OCC2)CC)CC
SPLASH splash10-004l-0290000000-2210b57c4e2409dfb42f
Source of Spectrum H1-51-1537-24
Wiley ID 817322