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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)-2-amino-2-oxo-1-phenyl-ethyl]carbamate
SpectraBase Compound ID 7uOZ9U91HpB
InChI InChI=1S/C24H32N2O5/c1-15(2)9-10-19-23(3,31-19)18-13-17(11-12-24(18)14-29-24)30-22(28)26-20(21(25)27)16-7-5-4-6-8-16/h4-9,17-20H,10-14H2,1-3H3,(H2,25,27)(H,26,28)/t17-,18-,19-,20-,23-,24+/m1/s1
InChIKey TYENSOCSHQRQSN-ZWALLPKMSA-N
Mol Weight 428.5 g/mol
Molecular Formula C24H32N2O5
Exact Mass 428.231122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IpEJ5Y6CROO
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)-2-amino-2-oxo-1-phenyl-ethyl]carbamate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H32N2O5
InChI InChI=1S/C24H32N2O5/c1-15(2)9-10-19-23(3,31-19)18-13-17(11-12-24(18)14-29-24)30-22(28)26-20(21(25)27)16-7-5-4-6-8-16/h4-9,17-20H,10-14H2,1-3H3,(H2,25,27)(H,26,28)/t17-,18-,19-,20-,23-,24+/m1/s1
InChIKey TYENSOCSHQRQSN-ZWALLPKMSA-N
Instrument Name LRMS
Ionization Type EI
Molecular Weight 428.529 g/mol
Optical Rotation [a]D23 = -23.1 (c = 1.8, CDCl3)
Reported Formula C24H32N2O5
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)(c1ccccc1)[H]
SPLASH splash10-000i-0910000000-f49a806aa8bf1b1e1d43
Source of Spectrum US8299067B2
Thin-Layer Chromatography Rf = 0.37 (silica gel, CH2Cl2/EtOAc, 2:3)
Wiley ID 1846856