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GYRYFWJWBIOPHI-GEUXXYCOSA-N

View entire compound with spectra: 1 NMR

GYRYFWJWBIOPHI-GEUXXYCOSA-N
SpectraBase Compound ID DOPPSV3TPCy
InChI InChI=1S/C57H62O11S/c1-41(58)65-54-52(63-37-46-29-17-7-18-30-46)50(61-35-44-25-13-5-14-26-44)48(39-59-33-42-21-9-3-10-22-42)66-56(54)68-55-53(64-38-47-31-19-8-20-32-47)51(62-36-45-27-15-6-16-28-45)49(67-57(55)69-2)40-60-34-43-23-11-4-12-24-43/h3-32,48-57H,33-40H2,1-2H3/t48-,49+,50-,51+,52+,53-,54+,55-,56-,57+/m1/s1
InChIKey GYRYFWJWBIOPHI-GEUXXYCOSA-N
Mol Weight 955.2 g/mol
Molecular Formula C57H62O11S
Exact Mass 954.401284 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ooX62rViFK
Name GYRYFWJWBIOPHI-GEUXXYCOSA-N
Compound Number 17A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C57H62O11S
InChI InChI=1S/C57H62O11S/c1-41(58)65-54-52(63-37-46-29-17-7-18-30-46)50(61-35-44-25-13-5-14-26-44)48(39-59-33-42-21-9-3-10-22-42)66-56(54)68-55-53(64-38-47-31-19-8-20-32-47)51(62-36-45-27-15-6-16-28-45)49(67-57(55)69-2)40-60-34-43-23-11-4-12-24-43/h3-32,48-57H,33-40H2,1-2H3/t48-,49+,50-,51+,52+,53-,54+,55-,56-,57+/m1/s1
InChIKey GYRYFWJWBIOPHI-GEUXXYCOSA-N
Literature Reference Author I.MATSUO,M.WADA,S.MANABE,Y.YAMAGUCHI,K.OTAKE,K.KATO,Y.ITO
Literature Reference Citation J.AM.CHEM.SOC.,125,3402(2003)
Literature Reference DOI 10.1021/ja021288q
Molecular Weight 955.173 g/mol
Sample ID 30294
Solvent CDCl3