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SJZIGGJDPYJPIH-VWWKJCHJSA-N
SpectraBase Compound ID KVDxtwIYPZq
InChI InChI=1S/C47H56N12O14/c1-27-38(64-21-20-63-28(2)60)43(69-29(3)61)45(70-30(4)62)47(68-27)73-44-39(65-24-31-14-8-5-9-15-31)34(53-57-49)22-35(54-58-50)40(44)72-46-37(55-59-51)42(67-26-33-18-12-7-13-19-33)41(36(71-46)23-52-56-48)66-25-32-16-10-6-11-17-32/h5-19,27,34-47H,20-26H2,1-4H3/t27-,34+,35-,36+,37+,38-,39-,40+,41+,42+,43+,44+,45-,46+,47+/m1/s1
InChIKey SJZIGGJDPYJPIH-VWWKJCHJSA-N
Mol Weight 1013.0 g/mol
Molecular Formula C47H56N12O14
Exact Mass 1012.403895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5ko6B5kS7PO
Name SJZIGGJDPYJPIH-VWWKJCHJSA-N
Compound Number 26
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H56N12O14
InChI InChI=1S/C47H56N12O14/c1-27-38(64-21-20-63-28(2)60)43(69-29(3)61)45(70-30(4)62)47(68-27)73-44-39(65-24-31-14-8-5-9-15-31)34(53-57-49)22-35(54-58-50)40(44)72-46-37(55-59-51)42(67-26-33-18-12-7-13-19-33)41(36(71-46)23-52-56-48)66-25-32-16-10-6-11-17-32/h5-19,27,34-47H,20-26H2,1-4H3/t27-,34+,35-,36+,37+,38-,39-,40+,41+,42+,43+,44+,45-,46+,47+/m1/s1
InChIKey SJZIGGJDPYJPIH-VWWKJCHJSA-N
Literature Reference Author J.LI,J.WANG,Y.HUI,C.T.CHANG
Literature Reference Citation ORG.LETTERS,5,431(2003)
Literature Reference DOI 10.1021/ol027288c
Molecular Weight 1013.034 g/mol
Sample ID 49424
Solvent CDCl3