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3,3-Bis(7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dien-4-yl)indolin-2-one
SpectraBase Compound ID DjW6RNDFqEU
InChI InChI=1S/C50H43NO13/c1-61-43-25-29(9-17-35(43)52)13-21-39(56)47(40(57)22-14-30-10-18-36(53)44(26-30)62-2)50(33-7-5-6-8-34(33)51-49(50)60)48(41(58)23-15-31-11-19-37(54)45(27-31)63-3)42(59)24-16-32-12-20-38(55)46(28-32)64-4/h5-28,47-48,52-55H,1-4H3,(H,51,60)/b21-13+,22-14+,23-15+,24-16+
InChIKey DUPXPTJIQWKEPF-YJJSJAINSA-N
Mol Weight 865.9 g/mol
Molecular Formula C50H43NO13
Exact Mass 865.27344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CaN6ALbmvPQ
Name 3,3-Bis(7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dien-4-yl)indolin-2-one
Alternate Name(s) (1E,1'E,6E,6'E)-4,4'-(2-oxoindoline-3,3-diyl)bis(1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C50H43NO13
InChI InChI=1S/C50H43NO13/c1-61-43-25-29(9-17-35(43)52)13-21-39(56)47(40(57)22-14-30-10-18-36(53)44(26-30)62-2)50(33-7-5-6-8-34(33)51-49(50)60)48(41(58)23-15-31-11-19-37(54)45(27-31)63-3)42(59)24-16-32-12-20-38(55)46(28-32)64-4/h5-28,47-48,52-55H,1-4H3,(H,51,60)/b21-13+,22-14+,23-15+,24-16+
InChIKey DUPXPTJIQWKEPF-YJJSJAINSA-N
Literature Reference DOI 10.1002/ardp.201300203
Molecular Weight 865.888 g/mol
SMILES N1c2c(C(C(C(\C=C\c3cc(c(cc3)O)OC)=O)C(\C=C\c3ccc(c(c3)OC)O)=O)(C1=O)C(C(\C=C\c1ccc(c(c1)OC)O)=O)C(\C=C\c1cc(c(cc1)O)OC)=O)cccc2
SPLASH splash10-0kbs-3911000000-0c22cf44fd5fadd09229
Source of Spectrum APC-347-132-21
Wiley ID 1769578