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Methyl trans-1,2,3,4,4a,5,6,8a-octahydro-1,1-dimethyl-6.beta.-hydroxy-4a-(tosyloxymethyl)naphthalene-1-carboxylate
SpectraBase Compound ID 9Ca1tIWPvhA
InChI InChI=1S/C22H30O6S/c1-15-8-10-17(11-9-15)29(25,26)28-14-22-12-6-5-7-18(22)21(3,20(24)27-4)19(23)16(2)13-22/h5,7-11,16,18-19,23H,6,12-14H2,1-4H3/t16?,18?,19-,21-,22?/m1/s1
InChIKey CEYZVXWSEINJCJ-LUVKBNLGSA-N
Mol Weight 422.54 g/mol
Molecular Formula C22H30O6S
Exact Mass 422.17631 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5FAEa50VaXe
Name Methyl trans-1,2,3,4,4a,5,6,8a-octahydro-1,1-dimethyl-6.beta.-hydroxy-4a-(tosyloxymethyl)naphthalene-1-carboxylate
CAS Registry Number 71886-97-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O6S
InChI InChI=1S/C22H30O6S/c1-15-8-10-17(11-9-15)29(25,26)28-14-22-12-6-5-7-18(22)21(3,20(24)27-4)19(23)16(2)13-22/h5,7-11,16,18-19,23H,6,12-14H2,1-4H3/t16?,18?,19-,21-,22?/m1/s1
InChIKey CEYZVXWSEINJCJ-LUVKBNLGSA-N
Molecular Weight 422.536 g/mol
SMILES O[C@]1([C@@](C2C(COS(c3ccc(cc3)C)(=O)=O)(CCC=C2)CC1C)(C(=O)OC)C)[H]
SPLASH splash10-006x-9008100000-140f9a16cc507e1a99ee
Source of Spectrum J-45-230-0
Synonyms Methyl (1R,2R)-2-hydroxy-1,3-dimethyl-4a-({[(4-methylphenyl)sulfonyl]oxy}methyl)-1,2,3,4,4a,5,6,8a-octahydro-1-naphthalenecarboxylate
Wiley ID 1378554