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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 p-toluenesulfonate

View entire compound with spectra: 1 MS (GC)

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 p-toluenesulfonate
SpectraBase Compound ID Ds5kdE2Imop
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-/m1/s1
InChIKey IHFOHHAMWLISFS-GTKJVGNCSA-N
Mol Weight 488.6 g/mol
Molecular Formula C26H32O7S
Exact Mass 488.186875 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5zTsF2K7aEI
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 p-toluenesulfonate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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-/m1/s1
InChIKey IHFOHHAMWLISFS-GTKJVGNCSA-N
Molecular Weight 488.595 g/mol
SMILES O[C@]1([C@@]2(Oc3c(c(OS(c4ccc(cc4)C)(=O)=O)cc(c3[C@@]2([C@](CC1)(C(C)C)[H])[H])OC)C(=O)C)[H])C
SPLASH splash10-0a4i-0090400000-9ef024b859089cbf714c
Source of Spectrum F-68-1224-30
Synonyms (5aR,6R,9R,9aS)-4-acetyl-6-hydroxy-9-isopropyl-1-methoxy-6-methyl-5a,6,7,8,9,9a-hexahydrodibenzo[b,d]furan-3-yl 4-methylbenzenesulfonate 4-methylbenzenesulfonic acid[(5aR,6R,9R,9aS)-4-acetyl-6-hydroxy-1-methoxy-6-methyl-9-propan-2-yl-7,8,9,9a-tetrahydro-5aH-dibenzofuran-3-yl]ester 4-methylbenzenesulfonic acid[(5aR,6R,9R,9aS)-4-acetyl-6-hydroxy-9-isopropyl-1-methoxy-6-methyl-7,8,9,9a-tetrahydro-5aH-dibenzofuran-3-yl]ester [(5aR,6R,9R,9aS)-4-acetyl-6-hydroxy-1-methoxy-6-methyl-9-propan-2-yl-7,8,9,9a-tetrahydro-5aH-dibenzofuran-3-yl]4-methylbenzenesulfonate [(5aR,6R,9R,9aS)-4-acetyl-6-hydroxy-9-isopropyl-1-methoxy-6-methyl-7,8,9,9a-tetrahydro-5aH-dibenzofuran-3-yl]4-methylbenzenesulfonate [(5aR,6R,9R,9aS)-4-ethanoyl-1-methoxy-6-methyl-6-oxidanyl-9-propan-2-yl-7,8,9,9a-tetrahydro-5aH-dibenzofuran-3-yl]4-methylbenzenesulfonate 4-methylbenzenesulfonic acid [(5aR,6R,9R,9aS)-4-acetyl-6-hydroxy-1-methoxy-6-methyl-9-propan-2-yl-7,8,9,9a-tetrahydro-5aH-dibenzofuran-3-yl] ester [(5aR,6R,9R,9aS)-4-acetyl-6-hydroxy-1-methoxy-6-methyl-9-propan-2-yl-7,8,9,9a-tetrahydro-5aH-dibenzofuran-3-yl] 4-methylbenzenesulfonate [(5aR,6R,9R,9aS)-4-acetyl-6-hydroxy-9-isopropyl-1-methoxy-6-methyl-7,8,9,9a-tetrahydro-5aH-dibenzofuran-3-yl] 4-methylbenzenesulfonate [(5aR,6R,9R,9aS)-4-ethanoyl-1-methoxy-6-methyl-6-oxidanyl-9-propan-2-yl-7,8,9,9a-tetrahydro-5aH-dibenzofuran-3-yl] 4-methylbenzenesulfonate
Wiley ID 1571804