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(2R,4S)-(1R,2R,4S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl 2-((S)-3-(((benzyloxy)carbonyl)amino)-4-methoxy-4-oxobutyl)-1,2-oxaphosphinane-4-carboxylate 2-oxide

View entire compound with spectra: 1 MS (GC)

(2R,4S)-(1R,2R,4S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl 2-((S)-3-(((benzyloxy)carbonyl)amino)-4-methoxy-4-oxobutyl)-1,2-oxaphosphinane-4-carboxylate 2-oxide
SpectraBase Compound ID 3HuHL8ScrFe
InChI InChI=1S/C28H40NO8P/c1-27(2)21-10-13-28(27,3)23(16-21)37-24(30)20-11-14-36-38(33,18-20)15-12-22(25(31)34-4)29-26(32)35-17-19-8-6-5-7-9-19/h5-9,20-23H,10-18H2,1-4H3,(H,29,32)/t20-,21+,22-,23?,28-,38+/m0/s1
InChIKey ZMTSYTVQSXYAFE-ZJOFJNKKSA-N
Mol Weight 549.6 g/mol
Molecular Formula C28H40NO8P
Exact Mass 549.249154 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID oq8QuauzNE
Name (2R,4S)-(1R,2R,4S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl 2-((S)-3-(((benzyloxy)carbonyl)amino)-4-methoxy-4-oxobutyl)-1,2-oxaphosphinane-4-carboxylate 2-oxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H40NO8P
InChI InChI=1S/C28H40NO8P/c1-27(2)21-10-13-28(27,3)23(16-21)37-24(30)20-11-14-36-38(33,18-20)15-12-22(25(31)34-4)29-26(32)35-17-19-8-6-5-7-9-19/h5-9,20-23H,10-18H2,1-4H3,(H,29,32)/t20-,21+,22-,23?,28-,38+/m0/s1
InChIKey ZMTSYTVQSXYAFE-ZJOFJNKKSA-N
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.p009.067
Molecular Weight 549.601 g/mol
Reported Formula C28H40NO8P
SMILES N([C@@](CC[P@@]1(C[C@](CCO1)(C(=O)OC1[C@]2(C([C@@](C1)(CC2)[H])(C)C)C)[H])=O)(C(OC)=O)[H])C(OCc1ccccc1)=O
SPLASH splash10-0006-9208510000-ccd7975bb7167e3f001f
Source of Spectrum ARK-2015-106-23
Wiley ID 1843358