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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)-2-(allylamino)-1-benzyl-2-oxo-ethyl]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-[(1S)-2-(allylamino)-1-benzyl-2-oxo-ethyl]carbamate
SpectraBase Compound ID G6cgD0566AE
InChI InChI=1S/C28H38N2O5/c1-5-15-29-25(31)22(16-20-9-7-6-8-10-20)30-26(32)34-21-13-14-28(18-33-28)23(17-21)27(4)24(35-27)12-11-19(2)3/h5-11,21-24H,1,12-18H2,2-4H3,(H,29,31)(H,30,32)/t21-,22+,23-,24-,27-,28+/m1/s1
InChIKey HPJVGVIROBTQPF-HYSYENSQSA-N
Mol Weight 482.6 g/mol
Molecular Formula C28H38N2O5
Exact Mass 482.278072 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ZnENMoIggP
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)-2-(allylamino)-1-benzyl-2-oxo-ethyl]carbamate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H38N2O5
InChI InChI=1S/C28H38N2O5/c1-5-15-29-25(31)22(16-20-9-7-6-8-10-20)30-26(32)34-21-13-14-28(18-33-28)23(17-21)27(4)24(35-27)12-11-19(2)3/h5-11,21-24H,1,12-18H2,2-4H3,(H,29,31)(H,30,32)/t21-,22+,23-,24-,27-,28+/m1/s1
InChIKey HPJVGVIROBTQPF-HYSYENSQSA-N
Instrument Name LRMS
Ionization Type EI
Molecular Weight 482.621 g/mol
Optical Rotation [a]D23 = +2.2 (c = 0.18, CH2Cl2)
Reported Formula C28H38N2O5
SMILES N(C(O[C@]1(C[C@@]([C@]2(OC2)CC1)([C@@]1([C@@](CC=C(C)C)(O1)[H])C)[H])[H])=O)[C@](C(NCC=C)=O)(Cc1ccccc1)[H]
SPLASH splash10-001i-0950000000-406c498bea720bff496f
Source of Spectrum US8299067B2
Thin-Layer Chromatography Rf = 0.50 (silica gel, hexanes/EtOAc, 1:2)
Wiley ID 1846860