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methyl (2S)-3-methyl-2-[[(3R,4S,6R)-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl]oxycarbonylamino]butanoate

View entire compound with spectra: 1 MS (GC)

methyl (2S)-3-methyl-2-[[(3R,4S,6R)-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl]oxycarbonylamino]butanoate
SpectraBase Compound ID 146Av60DOoO
InChI InChI=1S/C22H35NO6/c1-13(2)7-8-17-21(5,29-17)16-11-15(9-10-22(16)12-27-22)28-20(25)23-18(14(3)4)19(24)26-6/h7,14-18H,8-12H2,1-6H3,(H,23,25)/t15-,16-,17-,18+,21-,22+/m1/s1
InChIKey MKYDRGUTPKMZLL-YVJBSZDSSA-N
Mol Weight 409.5 g/mol
Molecular Formula C22H35NO6
Exact Mass 409.246438 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JcO9UoXGexT
Name methyl (2S)-3-methyl-2-[[(3R,4S,6R)-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl]oxycarbonylamino]butanoate
Appearance Colorless oil
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H35NO6
InChI InChI=1S/C22H35NO6/c1-13(2)7-8-17-21(5,29-17)16-11-15(9-10-22(16)12-27-22)28-20(25)23-18(14(3)4)19(24)26-6/h7,14-18H,8-12H2,1-6H3,(H,23,25)/t15-,16-,17-,18+,21-,22+/m1/s1
InChIKey MKYDRGUTPKMZLL-YVJBSZDSSA-N
Instrument Name LRMS
Ionization Type EI
Molecular Weight 409.523 g/mol
Optical Rotation [a]D23 = -4.7 (c = 1.0, CHCl3)
Reported Formula C22H35NO6
SMILES N(C(O[C@]1(C[C@]([C@@]2([C@@](CC=C(C)C)(O2)[H])C)([C@]2(OC2)CC1)[H])[H])=O)[C@](C(OC)=O)(C(C)C)[H]
SPLASH splash10-000i-0910000000-93d07eaf2b3afade0a1b
Source of Spectrum US8299067B2
Thin-Layer Chromatography Rf = 0.39 (silica gel, hexanes/EtOAc, 2:1)
Wiley ID 1846867