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Major-diastereoisomer

View entire compound with spectra: 2 NMR

Major-diastereoisomer
SpectraBase Compound ID HLq3egfriDO
InChI InChI=1S/C47H43O5P/c1-2-44(36-49-46(38-22-9-3-10-23-38,39-24-11-4-12-25-39)40-26-13-5-14-27-40)51-53(48)35-21-34-45(52-53)37-50-47(41-28-15-6-16-29-41,42-30-17-7-18-31-42)43-32-19-8-20-33-43/h2-34,44-45H,1,35-37H2/t44-,45-,53?/m1/s1
InChIKey UARWLXPDLPNZQO-SXJQCWLESA-N
Mol Weight 718.8 g/mol
Molecular Formula C47H43O5P
Exact Mass 718.284811 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 59NTTbAIfl9
Name Major-diastereoisomer
Comments Computed using HOSE algorithm
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Exact Mass 718.284811478 u
Formula C47H43O5P
InChI InChI=1S/C47H43O5P/c1-2-44(36-49-46(38-22-9-3-10-23-38,39-24-11-4-12-25-39)40-26-13-5-14-27-40)51-53(48)35-21-34-45(52-53)37-50-47(41-28-15-6-16-29-41,42-30-17-7-18-31-42)43-32-19-8-20-33-43/h2-34,44-45H,1,35-37H2/t44-,45-,53?/m1/s1
InChIKey UARWLXPDLPNZQO-SXJQCWLESA-N
Molecular Weight 718.830 g/mol
SMILES C(OC[C@@](C=C)(OP1(=O)CC=C[C@@](O1)(COC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)[H])[H])(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1