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CYClACOUMIN
SpectraBase Compound ID HremB7ERsYX
InChI InChI=1S/C52H84O23/c1-46(20-55)12-13-51-22-69-52(29(51)14-46)11-7-28-47(2)9-8-31(48(3,21-56)27(47)6-10-49(28,4)50(52,5)15-30(51)58)73-44-40(75-43-39(66)36(63)33(60)24(16-53)70-43)35(62)26(19-68-44)72-45-41(37(64)34(61)25(17-54)71-45)74-42-38(65)32(59)23(57)18-67-42/h20,23-45,53-54,56-66H,6-19,21-22H2,1-5H3/t23-,24-,25-,26+,27?,28?,29+,30-,31+,32+,33-,34-,35+,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,46+,47+,48+,49-,50+,51-,52+/m1/s1
InChIKey CGUJOULZMVZSJL-MVSNLAJGSA-N
Mol Weight 1077.2 g/mol
Molecular Formula C52H84O23
Exact Mass 1076.540339 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DmApgChhQob
Name CYClACOUMIN
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H84O23
InChI InChI=1S/C52H84O23/c1-46(20-55)12-13-51-22-69-52(29(51)14-46)11-7-28-47(2)9-8-31(48(3,21-56)27(47)6-10-49(28,4)50(52,5)15-30(51)58)73-44-40(75-43-39(66)36(63)33(60)24(16-53)70-43)35(62)26(19-68-44)72-45-41(37(64)34(61)25(17-54)71-45)74-42-38(65)32(59)23(57)18-67-42/h20,23-45,53-54,56-66H,6-19,21-22H2,1-5H3/t23-,24-,25-,26+,27?,28?,29+,30-,31+,32+,33-,34-,35+,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,46+,47+,48+,49-,50+,51-,52+/m1/s1
InChIKey CGUJOULZMVZSJL-MVSNLAJGSA-N
Literature Reference Author I.CALIS,A.YURUKER,N.TANKER,A.D.WRIGHT,O.STICHER
Literature Reference Citation PLANTA.MED.,63,166(1997)
Literature Reference DOI 10.1055/s-2006-957637
Molecular Weight 1077.225 g/mol
Solvent CD3OD
Source File Reference UIAP915