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(Z)-1(1,2),2(1,4)-Dibenzenacyclohexadecaphan-6-ene-14,16,22,26-tetraol, 4ac derivative
SpectraBase Compound ID GnYWFz2Y76n
InChI InChI=1S/C34H42O8/c1-23(35)39-29-21-28-18-16-14-12-10-8-6-5-7-9-11-13-15-17-27-19-30(40-24(2)36)34(31(20-27)41-25(3)37)33(28)32(22-29)42-26(4)38/h9,11,19-22H,5-8,10,12-18H2,1-4H3/b11-9-
InChIKey RZHRGOIXQMOVSS-LUAWRHEFSA-N
Mol Weight 578.7 g/mol
Molecular Formula C34H42O8
Exact Mass 578.287968 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1oWqyVAst7E
Name (Z)-1(1,2),2(1,4)-Dibenzenacyclohexadecaphan-6-ene-14,16,22,26-tetraol, 4ac derivative
Comments Computed using HOSE algorithm
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Exact Mass 578.287968304 u
Formula C34H42O8
InChI InChI=1S/C34H42O8/c1-23(35)39-29-21-28-18-16-14-12-10-8-6-5-7-9-11-13-15-17-27-19-30(40-24(2)36)34(31(20-27)41-25(3)37)33(28)32(22-29)42-26(4)38/h9,11,19-22H,5-8,10,12-18H2,1-4H3/b11-9-
InChIKey RZHRGOIXQMOVSS-LUAWRHEFSA-N
Molecular Weight 578.702 g/mol
SMILES C1=C(C=C(C2=C1CCCCCCCCC\C=C/CCCC1=CC(=C2C(OC(=O)C)=C1)OC(=O)C)OC(=O)C)OC(=O)C