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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)-5-methylindolin-2-one
SpectraBase Compound ID FDO1az9FdVY
InChI InChI=1S/C51H45NO13/c1-29-6-15-35-34(24-29)51(50(61)52-35,48(40(57)20-11-30-7-16-36(53)44(25-30)62-2)41(58)21-12-31-8-17-37(54)45(26-31)63-3)49(42(59)22-13-32-9-18-38(55)46(27-32)64-4)43(60)23-14-33-10-19-39(56)47(28-33)65-5/h6-28,48-49,53-56H,1-5H3,(H,52,61)/b20-11+,21-12+,22-13+,23-14+
InChIKey MCZILSBLKHGMOT-KHYHXIBTSA-N
Mol Weight 879.9 g/mol
Molecular Formula C51H45NO13
Exact Mass 879.289091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 91gCRo98c5E
Name 3,3-Bis(7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dien-4-yl)-5-methylindolin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C51H45NO13
InChI InChI=1S/C51H45NO13/c1-29-6-15-35-34(24-29)51(50(61)52-35,48(40(57)20-11-30-7-16-36(53)44(25-30)62-2)41(58)21-12-31-8-17-37(54)45(26-31)63-3)49(42(59)22-13-32-9-18-38(55)46(27-32)64-4)43(60)23-14-33-10-19-39(56)47(28-33)65-5/h6-28,48-49,53-56H,1-5H3,(H,52,61)/b20-11+,21-12+,22-13+,23-14+
InChIKey MCZILSBLKHGMOT-KHYHXIBTSA-N
Literature Reference DOI 10.1002/ardp.201300203
Molecular Weight 879.915 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)cc(cc2)C
SPLASH splash10-000x-9600000000-669231e5667be93e9066
Source of Spectrum APC-347-132-22
Synonyms (1E,1'E,6E,6'E)-4,4'-(5-methyl-2-oxoindoline-3,3-diyl)bis(1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione)
Wiley ID 1769579