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Bis{5-[1,3-dihydroxy-2-(2-methoxyphenoxy)propyl}-3-methoxy-2-hydroxyphenyl]peracetate
SpectraBase Compound ID HNyrychzQjd
InChI InChI=1S/C46H50O18/c1-25(47)57-23-41(63-37-17-13-11-15-35(37)53-7)43(59-27(3)49)31-19-33(45(61-29(5)51)39(21-31)55-9)34-20-32(22-40(56-10)46(34)62-30(6)52)44(60-28(4)50)42(24-58-26(2)48)64-38-18-14-12-16-36(38)54-8/h11-22,41-44H,23-24H2,1-10H3
InChIKey JFJKQGLJJCCMQZ-UHFFFAOYSA-N
Mol Weight 890.9 g/mol
Molecular Formula C46H50O18
Exact Mass 890.299715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GB0k5eKG36w
Name Bis{5-[1,3-dihydroxy-2-(2-methoxyphenoxy)propyl}-3-methoxy-2-hydroxyphenyl]peracetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H50O18
InChI InChI=1S/C46H50O18/c1-25(47)57-23-41(63-37-17-13-11-15-35(37)53-7)43(59-27(3)49)31-19-33(45(61-29(5)51)39(21-31)55-9)34-20-32(22-40(56-10)46(34)62-30(6)52)44(60-28(4)50)42(24-58-26(2)48)64-38-18-14-12-16-36(38)54-8/h11-22,41-44H,23-24H2,1-10H3
InChIKey JFJKQGLJJCCMQZ-UHFFFAOYSA-N
Molecular Weight 890.888 g/mol
SMILES c1(-c2c(c(OC)cc(c2)C(C(Oc2c(OC)cccc2)COC(=O)C)OC(=O)C)OC(=O)C)c(c(OC)cc(c1)C(C(Oc1c(OC)cccc1)COC(=O)C)OC(=O)C)OC(=O)C
SPLASH splash10-05fu-0971121060-a8538dd52e0f1602e5af
Source of Spectrum KC-0-3428-7
Synonyms 3-(acetyloxy)-1-[4-(acetyloxy)-3-[2-(acetyloxy)-5-[1-(acetyloxy)-2-[(acetyloxy)methyl]-2-(2-methoxyphenoxy)ethyl]-3-methoxyphenyl]-5-methoxyphenyl]-2-(2-methoxyphenoxy)propyl acetate
Wiley ID 826887