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ISOHOPEAPHENOL-A

View entire compound with spectra: 1 NMR

ISOHOPEAPHENOL-A
SpectraBase Compound ID avOyk90n1w
InChI InChI=1S/C56H42O12/c57-29-9-1-25(2-10-29)45-47-37(17-33(61)21-41(47)65)53-49-39(19-35(63)23-43(49)67-55(53)27-5-13-31(59)14-6-27)51(45)52-40-20-36(64)24-44-50(40)54(56(68-44)28-7-15-32(60)16-8-28)38-18-34(62)22-42(66)48(38)46(52)26-3-11-30(58)12-4-26/h1-24,45-46,51-66H/t45-,46-,51-,52+,53+,54+,55-,56-/m0/s1
InChIKey YQQUILZPDYJDQJ-CMUHVXPYSA-N
Mol Weight 906.9 g/mol
Molecular Formula C56H42O12
Exact Mass 906.267627 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ELbh761Qv7e
Name ISOHOPEAPHENOL-A
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H42O12
InChI InChI=1S/C56H42O12/c57-29-9-1-25(2-10-29)45-47-37(17-33(61)21-41(47)65)53-49-39(19-35(63)23-43(49)67-55(53)27-5-13-31(59)14-6-27)51(45)52-40-20-36(64)24-44-50(40)54(56(68-44)28-7-15-32(60)16-8-28)38-18-34(62)22-42(66)48(38)46(52)26-3-11-30(58)12-4-26/h1-24,45-46,51-66H/t45-,46-,51-,52+,53+,54+,55-,56-/m0/s1
InChIKey YQQUILZPDYJDQJ-CMUHVXPYSA-N
Literature Reference Author J.R.ZGODA-POLS,A.J.FREYER,L.B.KILLMER,J.R.PORTER
Literature Reference Citation J.NAT.PROD.,65,1554(2002)
Literature Reference DOI 10.1021/np020198w
Molecular Weight 906.942 g/mol
Solvent ACETONE-D6
Source File Reference UWSI7149