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(1R,4R)-1-[(1S)-1,5-dimethyl-3-(p-tolylsulfonyl)hex-4-enyl]-5,6-dimethoxy-4,7-dimethyl-tetralin
SpectraBase Compound ID 1AaASq6Trhn
InChI InChI=1S/C29H40O4S/c1-18(2)15-24(34(30,31)23-12-9-19(3)10-13-23)16-21(5)25-14-11-20(4)27-26(25)17-22(6)28(32-7)29(27)33-8/h9-10,12-13,15,17,20-21,24-25H,11,14,16H2,1-8H3/t20-,21+,24?,25-/m1/s1
InChIKey INOYZEXTBXORET-RUADQJCLSA-N
Mol Weight 484.7 g/mol
Molecular Formula C29H40O4S
Exact Mass 484.264731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hr23QtrKe9x
Name (1R,4R)-1-[(1S)-1,5-dimethyl-3-(p-tolylsulfonyl)hex-4-enyl]-5,6-dimethoxy-4,7-dimethyl-tetralin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H40O4S
InChI InChI=1S/C29H40O4S/c1-18(2)15-24(34(30,31)23-12-9-19(3)10-13-23)16-21(5)25-14-11-20(4)27-26(25)17-22(6)28(32-7)29(27)33-8/h9-10,12-13,15,17,20-21,24-25H,11,14,16H2,1-8H3/t20-,21+,24?,25-/m1/s1
InChIKey INOYZEXTBXORET-RUADQJCLSA-N
Molecular Weight 484.695 g/mol
SMILES c1(c(c(cc2[C@](CC[C@](c12)(C)[H])([C@](CC(C=C(C)C)S(=O)(=O)c1ccc(cc1)C)(C)[H])[H])C)OC)OC
SPLASH splash10-014i-2292100000-7e146ffa6a5f4435129b
Source of Spectrum K-2001-2353-49
Synonyms (1R,4R)-1-[(1S)-1,5-dimethyl-3-tosyl-hex-4-enyl]-5,6-dimethoxy-4,7-dimethyl-tetralin (1R,4R)-5,6-dimethoxy-4,7-dimethyl-1-[(2S)-6-methyl-4-(4-methylphenyl)sulfonyl-hept-5-en-2-yl]-1,2,3,4-tetrahydronaphthalene
Wiley ID 1580561