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C-18/21-CISGIGANTECIN

View entire compound with spectra: 1 NMR

C-18/21-CISGIGANTECIN
SpectraBase Compound ID 2FUiGnePiLa
InChI InChI=1S/C37H66O8/c1-3-4-5-6-7-8-9-10-11-15-18-31(39)35-23-24-36(45-35)33(41)21-20-32(40)34-22-19-30(44-34)17-14-12-13-16-29(38)26-28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3/t27?,29?,30-,31-,32+,33+,34+,35-,36+/m0/s1
InChIKey MJCVLDFXXAHQOH-WDWPUJQUSA-N
Mol Weight 638.9 g/mol
Molecular Formula C37H66O8
Exact Mass 638.475769 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 13ANpS9MmOT
Name C-18/21-CISGIGANTECIN
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H66O8
InChI InChI=1S/C37H66O8/c1-3-4-5-6-7-8-9-10-11-15-18-31(39)35-23-24-36(45-35)33(41)21-20-32(40)34-22-19-30(44-34)17-14-12-13-16-29(38)26-28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3/t27?,29?,30-,31-,32+,33+,34+,35-,36+/m0/s1
InChIKey MJCVLDFXXAHQOH-WDWPUJQUSA-N
Literature Reference Author Z.M.GU,X.P.FANG,L.ZENG,R.SONG,J.H.NG,K.V.WOOD,D.L.SMITH,J.L. MCLAUGHLIN
Literature Reference Citation J.ORG.CHEM.,59,3472(1994)
Literature Reference DOI 10.1021/jo00091a043
Molecular Weight 638.926 g/mol
Solvent CDCl3
Source File Reference UWCP2794