AC-THR-[BZ3-ALPHA-D-MAN-(TCE)2-6-P-(1,6)-BZ3-ALPHA-D-MAN-6-P]-LYS-THR-NH2

SpectraBase Compound ID	9S2T6v8X3D9
InChI	InChI=1S/C74H78Cl6N5O25P.C2HF3O2/c1-42(86)54(62(82)88)85-63(89)51(36-22-23-37-81)84-64(90)55(83-44(3)87)43(2)102-72-61(110-70(96)50-34-20-9-21-35-50)59(108-68(94)48-30-16-7-17-31-48)56(105-65(91)45-24-10-4-11-25-45)52(104-72)38-98-71-60(109-69(95)49-32-18-8-19-33-49)58(107-67(93)47-28-14-6-15-29-47)57(106-66(92)46-26-12-5-13-27-46)53(103-71)39-99-111(97,100-40-73(75,76)77)101-41-74(78,79)80;3-2(4,5)1(6)7/h4-21,24-35,42-43,51-61,71-72,86H,22-23,36-41,81H2,1-3H3,(H2,82,88)(H,83,87)(H,84,90)(H,85,89);(H,6,7)/t42-,43+,51+,52+,53-,54-,55-,56+,57-,58+,59-,60+,61-,71+,72-;/m0./s1
InChIKey	OEBJVMRNKXDBBR-LZZIVEBYSA-N Google Search
Mol Weight	1795.2 g/mol
Molecular Formula	C76H79Cl6F3N5O27P
Exact Mass	1791.27833 g/mol

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SpectraBase Spectrum ID	2MpfZTSMMKS
Name	AC-THR-[BZ3-ALPHA-D-MAN-(TCE)2-6-P-(1,6)-BZ3-ALPHA-D-MAN-6-P]-LYS-THR-NH2
Compound Number	13
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C76H79Cl6F3N5O27P
InChI	InChI=1S/C74H78Cl6N5O25P.C2HF3O2/c1-42(86)54(62(82)88)85-63(89)51(36-22-23-37-81)84-64(90)55(83-44(3)87)43(2)102-72-61(110-70(96)50-34-20-9-21-35-50)59(108-68(94)48-30-16-7-17-31-48)56(105-65(91)45-24-10-4-11-25-45)52(104-72)38-98-71-60(109-69(95)49-32-18-8-19-33-49)58(107-67(93)47-28-14-6-15-29-47)57(106-66(92)46-26-12-5-13-27-46)53(103-71)39-99-111(97,100-40-73(75,76)77)101-41-74(78,79)80;3-2(4,5)1(6)7/h4-21,24-35,42-43,51-61,71-72,86H,22-23,36-41,81H2,1-3H3,(H2,82,88)(H,83,87)(H,84,90)(H,85,89);(H,6,7)/t42-,43+,51+,52+,53-,54-,55-,56+,57-,58+,59-,60+,61-,71+,72-;/m0./s1
InChIKey	OEBJVMRNKXDBBR-LZZIVEBYSA-N
Literature Reference Author	M.K.CHRISTENSEN,M.MELDAL,K.BOCK
Literature Reference Citation	J.CHEM.SOC.PERKIN-1,1453(1993)
Literature Reference DOI	10.1039/p19930001453
Molecular Weight	1795.168 g/mol
Solvent	ACETONE-D6
Source File Reference	UWCP6267