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Benzyl 2-hydroxy-4-[2'-hydroxy-4'-methoxy-6'-{(2''-pentyl-1'',3''-dioxolan-2''-yl)methyl}benzoyloxy]-6-(2-oxoheptyl)benzoate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Benzyl 2-hydroxy-4-[2'-hydroxy-4'-methoxy-6'-{(2''-pentyl-1'',3''-dioxolan-2''-yl)methyl}benzoyloxy]-6-(2-oxoheptyl)benzoate
SpectraBase Compound ID 6gqNSeadLvJ
InChI InChI=1S/C38H46O10/c1-4-6-11-16-38(46-17-12-18-47-38)24-28-21-30(44-3)22-32(40)35(28)37(43)48-31-20-27(19-29(39)15-7-5-2)34(33(41)23-31)36(42)45-25-26-13-9-8-10-14-26/h8-10,13-14,20-23,40-41H,4-7,11-12,15-19,24-25H2,1-3H3
InChIKey HHYYMLHDSWPURS-UHFFFAOYSA-N
Mol Weight 662.8 g/mol
Molecular Formula C38H46O10
Exact Mass 662.309098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BmuA8pE65kv
Name benzyl 2-hydroxy-4-[2'-hydroxy-4'-methoxy-6'-{(2''-pentyl-1'',3''-dioxolan-2''-yl)methyl}benzoyloxy]-6-(2-oxoheptyl)benzoate
Comments Less than 3 mono-isotopic peaks
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Formula C38H46O10
InChI InChI=1S/C38H46O10/c1-4-6-11-16-38(46-17-12-18-47-38)24-28-21-30(44-3)22-32(40)35(28)37(43)48-31-20-27(19-29(39)15-7-5-2)34(33(41)23-31)36(42)45-25-26-13-9-8-10-14-26/h8-10,13-14,20-23,40-41H,4-7,11-12,15-19,24-25H2,1-3H3
InChIKey HHYYMLHDSWPURS-UHFFFAOYSA-N
Molecular Weight 662.776 g/mol
SMILES Oc1cc(OC(c2c(cc(cc2CC2(OCCCO2)CCCCC)OC)O)=O)cc(c1C(OCc1ccccc1)=O)CC(=O)CCCC
SPLASH splash10-0006-9000000000-dc44b78246c22e5d5f26
Source of Spectrum JA-50-479-0
Synonyms 4-[(benzyloxy)carbonyl]-3-hydroxy-5-(2-oxohexyl)phenyl 2-hydroxy-4-methoxy-6-[(2-pentyl-1,3-dioxan-2-yl)methyl]benzoate Benzyl 2-hydroxy-4-[2'-hydroxy-4'-methoxy-6'-{(2''-pentyl-1'',3''-dioxolan-2''-yl)methyl}benzoyloxy]-6-(2-oxoheptyl)benzoate Benzyl microphyllinate-ethylene acetal
Wiley ID 1413649