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(2R,3R)-((S)-1-(tert-butyldiphenylsilyloxy)-3-phenylpropan-2-yl)-3-((S)-1-((3R,4S)-4-((S)-2-((2S,3S)-2-(dimethylamino)-3-methylpentanamido)-N,3-dimethylbutanamido)-3-methoxy-5-methylhexanoyl)pyrrolidin-2-yl)-3-methoxy-2-methylpropanoate

View entire compound with spectra: 1 MS (GC)

(2R,3R)-((S)-1-(tert-butyldiphenylsilyloxy)-3-phenylpropan-2-yl)-3-((S)-1-((3R,4S)-4-((S)-2-((2S,3S)-2-(dimethylamino)-3-methylpentanamido)-N,3-dimethylbutanamido)-3-methoxy-5-methylhexanoyl)pyrrolidin-2-yl)-3-methoxy-2-methylpropanoate
SpectraBase Compound ID Iu0jUGBRwe5
InChI InChI=1S/C56H86N4O8Si/c1-16-40(6)51(58(11)12)53(62)57-49(38(2)3)54(63)59(13)50(39(4)5)47(65-14)36-48(61)60-34-26-33-46(60)52(66-15)41(7)55(64)68-43(35-42-27-20-17-21-28-42)37-67-69(56(8,9)10,44-29-22-18-23-30-44)45-31-24-19-25-32-45/h17-25,27-32,38-41,43,46-47,49-52H,16,26,33-37H2,1-15H3,(H,57,62)/t40-,41+,43-,46-,47+,49-,50-,51-,52+/m0/s1
InChIKey QLZFWVUMNXIXCK-QBCINLSJSA-N
Mol Weight 971.4 g/mol
Molecular Formula C56H86N4O8Si
Exact Mass 970.621492 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CQTz6JDInOz
Name (2R,3R)-((S)-1-(tert-butyldiphenylsilyloxy)-3-phenylpropan-2-yl)-3-((S)-1-((3R,4S)-4-((S)-2-((2S,3S)-2-(dimethylamino)-3-methylpentanamido)-N,3-dimethylbutanamido)-3-methoxy-5-methylhexanoyl)pyrrolidin-2-yl)-3-methoxy-2-methylpropanoate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C56H86N4O8Si
InChI InChI=1S/C56H86N4O8Si/c1-16-40(6)51(58(11)12)53(62)57-49(38(2)3)54(63)59(13)50(39(4)5)47(65-14)36-48(61)60-34-26-33-46(60)52(66-15)41(7)55(64)68-43(35-42-27-20-17-21-28-42)37-67-69(56(8,9)10,44-29-22-18-23-30-44)45-31-24-19-25-32-45/h17-25,27-32,38-41,43,46-47,49-52H,16,26,33-37H2,1-15H3,(H,57,62)/t40-,41+,43-,46-,47+,49-,50-,51-,52+/m0/s1
InChIKey QLZFWVUMNXIXCK-QBCINLSJSA-N
Instrument Name Finnigan MAT 95 XLT or Thermofinnigan MAT95 XL or Agilent 6890-5975b
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.10.29
Molecular Weight 971.409 g/mol
Optical Rotation [a]D24 = -24.4 (c = 0.16, CHCl3)
Reported Formula C56H86N4O8Si
SMILES N(C([C@]([C@](CC)(C)[H])(N(C)C)[H])=O)[C@](C(=O)N([C@@](C(C)C)([C@@](CC(N1CCC[C@]1([C@@]([C@](C(=O)O[C@@](Cc1ccccc1)(CO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)[H])(C)[H])(OC)[H])[H])=O)(OC)[H])[H])C)(C(C)C)[H]
SPLASH splash10-03di-0900000000-2d0580f9211b44c9a6b0
Source of Spectrum BJO-10-SM13-14
Thin-Layer Chromatography Rf = 0.30 (MeOH)
Wiley ID 1854049