#20;N-[4-(2,7-DIFLUORO-6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-3-METHYL-BENZOYL]-ALANYL-N-(3-[(3-ETA)-CHOLEST-5-EN-3-YL-[(2-NITROPHENYL)-SULFONYL]-AMINO]-PROPYL)-ETA-

SpectraBase Compound ID	F3yZSwv2kso
InChI	InChI=1S/C63H77F2N5O10S/c1-37(2)11-9-12-38(3)41-30-49-45-18-16-42-31-43(19-24-63(42,6)48(45)20-23-62(49,5)36-41)69(81(78,79)57-14-8-7-13-52(57)70(76)77)28-10-25-66-58(73)21-26-67-59(74)22-27-68-61(75)40-15-17-44(39(4)29-40)60-46-32-50(64)53(71)34-55(46)80-56-35-54(72)51(65)33-47(56)60/h7-8,13-17,29,32-35,37-38,41,43,45,48-49,71H,9-12,18-28,30-31,36H2,1-6H3,(H,66,73)(H,67,74)(H,68,75)/t38-,41+,43+,45-,48+,49+,62?,63?/m1/s1
InChIKey	VCTGZPGJSZIDOJ-JRSMHVITSA-N Google Search
Mol Weight	1134.4 g/mol
Molecular Formula	C63H77F2N5O10S
Exact Mass	1133.535921 g/mol

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SpectraBase Spectrum ID	CPMavuMvpr7
Name	#20;N-[4-(2,7-DIFLUORO-6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-3-METHYL-BENZOYL]-ALANYL-N-(3-[(3-ETA)-CHOLEST-5-EN-3-YL-[(2-NITROPHENYL)-SULFONYL]-AMINO]-PROPYL)-ETA-
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C63H77F2N5O10S
InChI	InChI=1S/C63H77F2N5O10S/c1-37(2)11-9-12-38(3)41-30-49-45-18-16-42-31-43(19-24-63(42,6)48(45)20-23-62(49,5)36-41)69(81(78,79)57-14-8-7-13-52(57)70(76)77)28-10-25-66-58(73)21-26-67-59(74)22-27-68-61(75)40-15-17-44(39(4)29-40)60-46-32-50(64)53(71)34-55(46)80-56-35-54(72)51(65)33-47(56)60/h7-8,13-17,29,32-35,37-38,41,43,45,48-49,71H,9-12,18-28,30-31,36H2,1-6H3,(H,66,73)(H,67,74)(H,68,75)/t38-,41+,43+,45-,48+,49+,62?,63?/m1/s1
InChIKey	VCTGZPGJSZIDOJ-JRSMHVITSA-N
Literature Reference Author	L.F.MOTTRAM,S.BOONYARATTANAKALIN,R.E.KOVEL,B.R.PETERSON
Literature Reference Citation	ORG.LETTERS,8,581(2006)
Literature Reference DOI	10.1021/ol052655g
Solvent	CDCl3
Source File Reference	UWSI40295