John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=hs0P6tqrht SpectraBase Spectrum ID=X5cUdvclaA

(accessed ).
5A-(ANTHRACEN-9-YL-METHYLSULFANYL)-DIHYDROBICYCLOMYCIN;MAJOR-DIASTEREOMER
SpectraBase Compound ID hs0P6tqrht
InChI InChI=1S/C27H30N2O7S/c1-25(34,15-30)22(31)27-24(33)28-26(35,23(32)29-27)18(10-11-36-27)13-37-14-21-19-8-4-2-6-16(19)12-17-7-3-5-9-20(17)21/h2-9,12,18,22,30-31,34-35H,10-11,13-15H2,1H3,(H,28,33)(H,29,32)/t18-,22?,25?,26+,27+/m0/s1
InChIKey YTTDCXITWWFVNM-NSIJDXDRSA-N
Mol Weight 526.6 g/mol
Molecular Formula C27H30N2O7S
Exact Mass 526.177373 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID X5cUdvclaA
Name 5A-(ANTHRACEN-9-YL-METHYLSULFANYL)-DIHYDROBICYCLOMYCIN;MAJOR-DIASTEREOMER
Compound Number 14
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H30N2O7S
InChI InChI=1S/C27H30N2O7S/c1-25(34,15-30)22(31)27-24(33)28-26(35,23(32)29-27)18(10-11-36-27)13-37-14-21-19-8-4-2-6-16(19)12-17-7-3-5-9-20(17)21/h2-9,12,18,22,30-31,34-35H,10-11,13-15H2,1H3,(H,28,33)(H,29,32)/t18-,22?,25?,26+,27+/m0/s1
InChIKey YTTDCXITWWFVNM-NSIJDXDRSA-N
Literature Reference Author A.P.BROGAN,W.R.WIDGER,H.KOHN
Literature Reference Citation J.ORG.CHEM.,68,5575(2003)
Literature Reference DOI 10.1021/jo030020u
Molecular Weight 526.604 g/mol
Solvent DMSO-D6
Source File Reference UWVN25386
SpectraBase Batch ID 6vi7Sn5Dl2A