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RAC-(5AR,6R,9R,9AS)-4-ACETYL-6-HYDROXY-1-METHOXY-6-METHYL-9-(1-METHYLETHYL)-5A,6,7,8,9,9A-HEXAHYDRODIBENZOFURAN-3-YL-PARA-TOLUENESULFONATE

View entire compound with spectra: 1 NMR

RAC-(5AR,6R,9R,9AS)-4-ACETYL-6-HYDROXY-1-METHOXY-6-METHYL-9-(1-METHYLETHYL)-5A,6,7,8,9,9A-HEXAHYDRODIBENZOFURAN-3-YL-PARA-TOLUENESULFONATE
SpectraBase Compound ID f1j1WKBbZi
InChI InChI=1S/C26H32O7S/c1-14(2)18-11-12-26(5,28)25-22(18)23-19(31-6)13-20(21(16(4)27)24(23)32-25)33-34(29,30)17-9-7-15(3)8-10-17/h7-10,13-14,18,22,25,28H,11-12H2,1-6H3/t18-,22+,25-,26-/m0/s1
InChIKey IHFOHHAMWLISFS-XQHJKBQKSA-N
Mol Weight 488.6 g/mol
Molecular Formula C26H32O7S
Exact Mass 488.186875 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5u6iONSpZcG
Name RAC-(5AR,6R,9R,9AS)-4-ACETYL-6-HYDROXY-1-METHOXY-6-METHYL-9-(1-METHYLETHYL)-5A,6,7,8,9,9A-HEXAHYDRODIBENZOFURAN-3-YL-PARA-TOLUENESULFONATE
Compound Number 30
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H32O7S
InChI InChI=1S/C26H32O7S/c1-14(2)18-11-12-26(5,28)25-22(18)23-19(31-6)13-20(21(16(4)27)24(23)32-25)33-34(29,30)17-9-7-15(3)8-10-17/h7-10,13-14,18,22,25,28H,11-12H2,1-6H3/t18-,22+,25-,26-/m0/s1
InChIKey IHFOHHAMWLISFS-XQHJKBQKSA-N
Literature Reference Author M.YAMASHITA,N.OHTA,T.SHIMIZU,K.MATSUMOTO,Y.MATSUURA,I.KAWASA KI,T.TANAKA,N.MAEZAK
Literature Reference Citation J.ORG.CHEM.,68,1216(2003)
Literature Reference DOI 10.1021/jo020619e
Molecular Weight 488.596 g/mol
Solvent CDCl3
Source File Reference UWSI22574