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(3AR,4R,5R,6S,6AS)-6-[(BENZYLOXY)-METHYL]-2-(DIMETHYLAMINO)-3A,5,6,6A-TETRAHYDRO-4H-CYCLOPENTOXAZOL-5-YL-3,6-DI-O-BENZYL-4-O-(3-O-BENZYL-4,6-O-BENZYLIDENE-2-DE
SpectraBase Compound ID 3cM2rjAUfTI
InChI InChI=1S/C72H70N4O16/c1-74(2)72-73-55-58(77)60(52(59(55)92-72)40-82-36-43-22-8-3-9-23-43)89-70-56(75-65(78)48-32-18-19-33-49(48)66(75)79)63(84-38-45-26-12-5-13-27-45)61(53(87-70)41-83-37-44-24-10-4-11-25-44)91-71-57(76-67(80)50-34-20-21-35-51(50)68(76)81)64(85-39-46-28-14-6-15-29-46)62-54(88-71)42-86-69(90-62)47-30-16-7-17-31-47/h3-35,52-64,69-71,77H,36-42H2,1-2H3/t52-,53+,54-,55?,56+,57-,58+,59?,60+,61+,62?,63-,64+,69-,70-,71+/m0/s1
InChIKey HREVDWRFTDHBRM-GNQIXNLLSA-N
Mol Weight 1247.4 g/mol
Molecular Formula C72H70N4O16
Exact Mass 1246.478682 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6UabrPZTMex
Name (3AR,4R,5R,6S,6AS)-6-[(BENZYLOXY)-METHYL]-2-(DIMETHYLAMINO)-3A,5,6,6A-TETRAHYDRO-4H-CYCLOPENTOXAZOL-5-YL-3,6-DI-O-BENZYL-4-O-(3-O-BENZYL-4,6-O-BENZYLIDENE-2-DE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C72H70N4O16
InChI InChI=1S/C72H70N4O16/c1-74(2)72-73-55-58(77)60(52(59(55)92-72)40-82-36-43-22-8-3-9-23-43)89-70-56(75-65(78)48-32-18-19-33-49(48)66(75)79)63(84-38-45-26-12-5-13-27-45)61(53(87-70)41-83-37-44-24-10-4-11-25-44)91-71-57(76-67(80)50-34-20-21-35-51(50)68(76)81)64(85-39-46-28-14-6-15-29-46)62-54(88-71)42-86-69(90-62)47-30-16-7-17-31-47/h3-35,52-64,69-71,77H,36-42H2,1-2H3/t52-,53+,54-,55?,56+,57-,58+,59?,60+,61+,62?,63-,64+,69-,70-,71+/m0/s1
InChIKey HREVDWRFTDHBRM-GNQIXNLLSA-N
Literature Reference Author J.L.MALOISEL,A.VASELLA,B.M.TROST,D.L.VANVRANKEN
Literature Reference Citation HELV.CHIM.ACTA,75,1515(1992)
Literature Reference DOI 10.1002/hlca.19920750506
Molecular Weight 1247.365 g/mol
Solvent CDCl3
Source File Reference UWCS8679