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VATICAPHENOL-A

View entire compound with spectra: 2 NMR

VATICAPHENOL-A
SpectraBase Compound ID 1CAOyVbRdg8
InChI InChI=1S/C56H42O12/c57-30-9-1-25(2-10-30)44-47-38(20-36(63)22-40(47)65)50-52-43(68-56(50)28-7-15-33(60)16-8-28)24-41(66)51-49(45(53(44)54(51)52)26-3-11-31(58)12-4-26)39-21-37(64)23-42-48(39)46(29-17-34(61)19-35(62)18-29)55(67-42)27-5-13-32(59)14-6-27/h1-24,44-46,49-50,53,55-66H/t44-,45-,46+,49-,50-,53+,55-,56+/m1/s1
InChIKey VOANMQWFRWOKSM-IUAFFJJUSA-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 6MrWwmmbCnR
Name VATICANOL-B
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H42O12
InChI InChI=1S/C56H42O12/c57-30-9-1-25(2-10-30)44-47-38(20-36(63)22-40(47)65)50-52-43(68-56(50)28-7-15-33(60)16-8-28)24-41(66)51-49(45(53(44)54(51)52)26-3-11-31(58)12-4-26)39-21-37(64)23-42-48(39)46(29-17-34(61)19-35(62)18-29)55(67-42)27-5-13-32(59)14-6-27/h1-24,44-46,49-50,53,55-66H/t44-,45-,46+,49-,50-,53+,55-,56+/m1/s1
InChIKey VOANMQWFRWOKSM-IUAFFJJUSA-N
Literature Reference Author N.MUHAMMAD,L.B.DIN,I.SAHIDIN,S.F.HASMIN,S.F.HASHIM,N.IBRAHIM ,Z.ZAKARIA,W.A.YAACO
Literature Reference Citation MOLECULES,17,9043(2012)
Literature Reference DOI 10.3390/molecules17089043
Molecular Weight 906.942 g/mol
Sample ID 1350
Solvent ACETONE-D6