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[(3R,4S,6R)-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] N-[(1S)-1-carbamoyl-2-methyl-propyl]carbamate
SpectraBase Compound ID GWVmCqvsbmW
InChI InChI=1S/C21H34N2O5/c1-12(2)6-7-16-20(5,28-16)15-10-14(8-9-21(15)11-26-21)27-19(25)23-17(13(3)4)18(22)24/h6,13-17H,7-11H2,1-5H3,(H2,22,24)(H,23,25)/t14-,15-,16-,17+,20-,21+/m1/s1
InChIKey OYDRVMGPHCWTTC-RDNOGQQASA-N
Mol Weight 394.5 g/mol
Molecular Formula C21H34N2O5
Exact Mass 394.246772 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AMsZfL4nsWr
Name [(3R,4S,6R)-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] N-[(1S)-1-carbamoyl-2-methyl-propyl]carbamate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34N2O5
InChI InChI=1S/C21H34N2O5/c1-12(2)6-7-16-20(5,28-16)15-10-14(8-9-21(15)11-26-21)27-19(25)23-17(13(3)4)18(22)24/h6,13-17H,7-11H2,1-5H3,(H2,22,24)(H,23,25)/t14-,15-,16-,17+,20-,21+/m1/s1
InChIKey OYDRVMGPHCWTTC-RDNOGQQASA-N
Instrument Name LRMS
Ionization Type EI
Molecular Weight 394.512 g/mol
Optical Rotation [a]D23 = -5.1 (c = 1.5, CDCl3)
Reported Formula C21H34N2O5
SMILES N(C(O[C@]1(C[C@@]([C@]2(OC2)CC1)([C@]1(C)[C@@](CC=C(C)C)(O1)[H])[H])[H])=O)[C@](C(N)=O)(C(C)C)[H]
SPLASH splash10-000i-0910000000-983c4718c5e8bfa28102
Source of Spectrum US8299067B2
Thin-Layer Chromatography Rf = 0.31 (silica gel, CH2Cl2/EtOAc, 2:3)
Wiley ID 1846854