(4R)-2-[(1'R,2'S)-1',2'-Methano-3'-acetoxypropyl]-4R-farnesyloxymethyl-4,5-dihydrothiazole

SpectraBase Compound ID	FItw7oFLPWL
InChI	InChI=1S/C25H39NO3S/c1-18(2)8-6-9-19(3)10-7-11-20(4)12-13-28-16-23-17-30-25(26-23)24-14-22(24)15-29-21(5)27/h8,10,12,22-24H,6-7,9,11,13-17H2,1-5H3/b19-10+,20-12+/t22-,23-,24-/m1/s1
InChIKey	ZHDOIKUKYVXKCR-FDUJOVSESA-N Google Search
Mol Weight	433.7 g/mol
Molecular Formula	C25H39NO3S
Exact Mass	433.265065 g/mol

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SpectraBase Spectrum ID	F621Yi6sJoh
Name	(4R)-2-[(1'R,2'S)-1',2'-Methano-3'-acetoxypropyl]-4R-farnesyloxymethyl-4,5-dihydrothiazole
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	433.265065291 u
Formula	C25H39NO3S
InChI	InChI=1S/C25H39NO3S/c1-18(2)8-6-9-19(3)10-7-11-20(4)12-13-28-16-23-17-30-25(26-23)24-14-22(24)15-29-21(5)27/h8,10,12,22-24H,6-7,9,11,13-17H2,1-5H3/b19-10+,20-12+/t22-,23-,24-/m1/s1
InChIKey	ZHDOIKUKYVXKCR-FDUJOVSESA-N
Molecular Weight	433.651 g/mol
SMILES	C1([C@@]2(C[C@@]2(COC(=O)C)[H])[H])=N[C@](COC\C=C\(CC\C=C\(CCC=C(C)C)C)C)(CS1)[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.90208