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(3R,4R,5S)-4-ETHYNYL-2-METHYL-5-[N-(2,4,6-TRIMETHYLPHENYLSULFONYL)-AMINO]-6-PHENYLHEXAN-3-OL
SpectraBase Compound ID DRAP3V5zthC
InChI InChI=1S/C24H31NO3S/c1-7-21(23(26)16(2)3)22(15-20-11-9-8-10-12-20)25-29(27,28)24-18(5)13-17(4)14-19(24)6/h1,8-14,16,21-23,25-26H,15H2,2-6H3/t21-,22+,23-/m0/s1
InChIKey ZQWWCLRGXTZCSI-ZRBLBEILSA-N
Mol Weight 413.58 g/mol
Molecular Formula C24H31NO3S
Exact Mass 413.202465 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DqsCIsLRZH5
Name (3R,4R,5S)-4-ETHYNYL-2-METHYL-5-[N-(2,4,6-TRIMETHYLPHENYLSULFONYL)-AMINO]-6-PHENYLHEXAN-3-OL
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H31NO3S
InChI InChI=1S/C24H31NO3S/c1-7-21(23(26)16(2)3)22(15-20-11-9-8-10-12-20)25-29(27,28)24-18(5)13-17(4)14-19(24)6/h1,8-14,16,21-23,25-26H,15H2,2-6H3/t21-,22+,23-/m0/s1
InChIKey ZQWWCLRGXTZCSI-ZRBLBEILSA-N
Literature Reference Author H.OHNO,H.HAMAGUCHI,T.TANAKA
Literature Reference Citation J.ORG.CHEM.,66,1867(2001)
Literature Reference DOI 10.1021/jo005756v
Molecular Weight 413.575 g/mol
Solvent CDCl3
Source File Reference UWMS26230