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(2S,3S,1'S)-1,4-Di(2,3-Dimethylbutoxy)-2-[(cyclopentyl)(4-phenylphenyl)methoxy]butan-3-ol
SpectraBase Compound ID 22c4RinnRFL
InChI InChI=1S/C34H52O4/c1-24(2)26(5)20-36-22-32(35)33(23-37-21-27(6)25(3)4)38-34(30-14-10-11-15-30)31-18-16-29(17-19-31)28-12-8-7-9-13-28/h7-9,12-13,16-19,24-27,30,32-35H,10-11,14-15,20-23H2,1-6H3/t26?,27?,32-,33-,34-/m0/s1
InChIKey CIKDDZMWAKJRDD-ZNORVHFESA-N
Mol Weight 524.8 g/mol
Molecular Formula C34H52O4
Exact Mass 524.38656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E9889uq8Khc
Name (2S,3S,1'S)-1,4-Di(2,3-Dimethylbutoxy)-2-[(cyclopentyl)(4-phenylphenyl)methoxy]butan-3-ol
Alternate Name(s) (2S,3S)-3-{[(S)-[1,1'-biphenyl]-4-yl(cyclopentyl)methyl]oxy}-1,4-bis(2,3-dimethylbutoxy)-2-butanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H52O4
InChI InChI=1S/C34H52O4/c1-24(2)26(5)20-36-22-32(35)33(23-37-21-27(6)25(3)4)38-34(30-14-10-11-15-30)31-18-16-29(17-19-31)28-12-8-7-9-13-28/h7-9,12-13,16-19,24-27,30,32-35H,10-11,14-15,20-23H2,1-6H3/t26?,27?,32-,33-,34-/m0/s1
InChIKey CIKDDZMWAKJRDD-ZNORVHFESA-N
Molecular Weight 524.786 g/mol
SMILES O[C@]([C@@](O[C@](c1ccc(cc1)-c1ccccc1)(C1CCCC1)[H])(COCC(C(C)C)C)[H])(COCC(C(C)C)C)[H]
SPLASH splash10-0019-3490000000-8c11b0b757a420222222
Source of Spectrum J-59-8195-4
Wiley ID 1402637