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Benzyl 4-O-methylhyperolivetorate - ethylene acetal
SpectraBase Compound ID 1s5SoMnHwwK
InChI InChI=1S/C38H48O9/c1-4-6-8-9-13-17-28-21-31(24-33(40)34(28)36(41)44-26-27-15-11-10-12-16-27)47-37(42)35-29(22-30(43-3)23-32(35)39)25-38(18-14-7-5-2)45-19-20-46-38/h10-12,15-16,21-24,39-40H,4-9,13-14,17-20,25-26H2,1-3H3
InChIKey MQCQEHIXHJFNQB-UHFFFAOYSA-N
Mol Weight 648.8 g/mol
Molecular Formula C38H48O9
Exact Mass 648.329833 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1HSimiOLWy3
Name Benzyl 4-O-methylhyperolivetorate - ethylene acetal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H48O9
InChI InChI=1S/C38H48O9/c1-4-6-8-9-13-17-28-21-31(24-33(40)34(28)36(41)44-26-27-15-11-10-12-16-27)47-37(42)35-29(22-30(43-3)23-32(35)39)25-38(18-14-7-5-2)45-19-20-46-38/h10-12,15-16,21-24,39-40H,4-9,13-14,17-20,25-26H2,1-3H3
InChIKey MQCQEHIXHJFNQB-UHFFFAOYSA-N
Molecular Weight 648.793 g/mol
SMILES Oc1cc(OC(c2c(cc(cc2CC2(OCCO2)CCCCC)OC)O)=O)cc(c1C(OCc1ccccc1)=O)CCCCCCC
SPLASH splash10-0006-9000000000-bbdc05a95fcebec501e7
Source of Spectrum JA-50-479-0
Synonyms Benzyl 6-heptyl-2-hydroxy-4-[2'-hydroxy-4'-methoxy-6'-{(2''-pentyl-1'',3''-dioxolan-2''-yl)methyl}benzyloxy]benzoate (phenylmethyl) 2-heptyl-4-[4-methoxy-2-oxidanyl-6-[(2-pentyl-1,3-dioxolan-2-yl)methyl]phenyl]carbonyloxy-6-oxidanyl-benzoate Benzyl 6-heptyl-2-hydroxy-4-[2'-hydroxy-4'-methoxy-6'-{(2''-pentyl-1'',3''-dioxolan-2''-yl)methyl}benzyloxy]benzoate 2-Heptyl-6-hydroxy-4-[[2-hydroxy-4-methoxy-6-[(2-pentyl-1,3-dioxolan-2-yl)methyl]phenyl]-oxomethoxy]benzoic acid (phenylmethyl) ester 4-[2-[(2-amyl-1,3-dioxolan-2-yl)methyl]-6-hydroxy-4-methoxy-benzoyl]oxy-2-heptyl-6-hydroxy-benzoic acid benzyl ester benzyl 2-heptyl-6-hydroxy-4-[2-hydroxy-4-methoxy-6-[(2-pentyl-1,3-dioxolan-2-yl)methyl]benzoyl]oxy-benzoate benzyl 2-heptyl-6-hydroxy-4-[2-hydroxy-4-methoxy-6-[(2-pentyl-1,3-dioxolan-2-yl)methyl]benzoyl]oxybenzoate
Wiley ID 1413036