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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-[(1R)-1-carbamoyl-3-methyl-butyl]carbamate

View entire compound with spectra: 1 MS (GC)

[(3R,4S,6R)-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] N-[(1R)-1-carbamoyl-3-methyl-butyl]carbamate
SpectraBase Compound ID 6b8TrGdxNWQ
InChI InChI=1S/C22H36N2O5/c1-13(2)6-7-18-21(5,29-18)17-11-15(8-9-22(17)12-27-22)28-20(26)24-16(19(23)25)10-14(3)4/h6,14-18H,7-12H2,1-5H3,(H2,23,25)(H,24,26)/t15-,16-,17-,18-,21-,22+/m1/s1
InChIKey PGMVAQMSPJNVBH-MEILYROSSA-N
Mol Weight 408.5 g/mol
Molecular Formula C22H36N2O5
Exact Mass 408.262422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6BBmKxAB1gX
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-[(1R)-1-carbamoyl-3-methyl-butyl]carbamate
Appearance Colorless oil
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H36N2O5
InChI InChI=1S/C22H36N2O5/c1-13(2)6-7-18-21(5,29-18)17-11-15(8-9-22(17)12-27-22)28-20(26)24-16(19(23)25)10-14(3)4/h6,14-18H,7-12H2,1-5H3,(H2,23,25)(H,24,26)/t15-,16-,17-,18-,21-,22+/m1/s1
InChIKey PGMVAQMSPJNVBH-MEILYROSSA-N
Instrument Name LRMS
Ionization Type EI
Molecular Weight 408.539 g/mol
Optical Rotation [a]D23 = -4.2 (c = 2.1, CDCl3)
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)(CC(C)C)[H]
SPLASH splash10-0002-0910000000-b569b914e1b54887f1ee
Source of Spectrum US8299067B2
Thin-Layer Chromatography Rf = 0.40 (silica gel, CH2Cl2/EtOAc, 2:3)
Wiley ID 1846857