John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=17abmnEflm6 SpectraBase Spectrum ID=1TmvfHavKxY

(accessed ).
ERYTHROMYCIN-A-TRICYCLE
SpectraBase Compound ID 17abmnEflm6
InChI InChI=1S/C42H61N3O10/c1-13-29-22-43-32-23(3)21-41(8,50-12)36(54-39-34(30(44(10)11)20-24(4)51-39)53-38(48)28-18-16-15-17-19-28)26(6)33(46)27(7)37(47)52-31(14-2)42(9)35(25(32)5)45(29)40(49)55-42/h13,15-19,23-27,29-31,34-36,39H,1,14,20-22H2,2-12H3/t23-,24-,25+,26+,27-,29+,30+,31-,34-,35-,36-,39+,41-,42-/m1/s1
InChIKey ADBWYBMEGNDFCV-FJBOXEPRSA-N
Mol Weight 768.0 g/mol
Molecular Formula C42H61N3O10
Exact Mass 767.435696 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1TmvfHavKxY
Name ERYTHROMYCIN-A-TRICYCLE
Compound Number 4
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H61N3O10
InChI InChI=1S/C42H61N3O10/c1-13-29-22-43-32-23(3)21-41(8,50-12)36(54-39-34(30(44(10)11)20-24(4)51-39)53-38(48)28-18-16-15-17-19-28)26(6)33(46)27(7)37(47)52-31(14-2)42(9)35(25(32)5)45(29)40(49)55-42/h13,15-19,23-27,29-31,34-36,39H,1,14,20-22H2,2-12H3/t23-,24-,25+,26+,27-,29+,30+,31-,34-,35-,36-,39+,41-,42-/m1/s1
InChIKey ADBWYBMEGNDFCV-FJBOXEPRSA-N
Literature Reference Author R.F.KEYES,J.J.CARTER,X.ZHANG,Z.MA
Literature Reference Citation ORG.LETTERS,7,847(2005)
Literature Reference DOI 10.1021/ol047406r
Molecular Weight 767.960 g/mol
Sample ID 42417
Solvent CDCl3
SpectraBase Batch ID KNjYrCb8kOo