| SpectraBase Compound ID | CTmRD2mT1Zo |
|---|---|
| InChI | InChI=1S/C50H42ClNO13/c1-62-43-23-28(5-15-35(43)53)9-19-39(57)47(40(58)20-10-29-6-16-36(54)44(24-29)63-2)50(33-27-32(51)13-14-34(33)52-49(50)61)48(41(59)21-11-30-7-17-37(55)45(25-30)64-3)42(60)22-12-31-8-18-38(56)46(26-31)65-4/h5-27,47-48,53-56H,1-4H3,(H,52,61)/b19-9+,20-10+,21-11+,22-12+ |
| InChIKey | YJBIOGLHSUUCOW-VLMYNYHDSA-N |
| Mol Weight | 900.3 g/mol |
| Molecular Formula | C50H42ClNO13 |
| Exact Mass | 899.234468 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ISLqMchbKrd |
|---|---|
| Name | 5-Chloro-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'-(5-chloro-2-oxoindoline-3,3-diyl)bis(1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione) (1E,6E)-4-[3-[(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dien-4-yl]-5-chloro-2-oxo-1H-indol-3-yl]-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione (1E,6E)-4-[5-chloro-3-[(E)-4-(4-hydroxy-3-methoxy-phenyl)-1-[(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl]-2-oxo-but-3-enyl]-2-oxo-indolin-3-yl]-1,7-bis(4-hydroxy-3-methoxy-phenyl)hepta-1,6-diene-3,5-dione (1E,6E)-4-[3-[(1E,6E)-1,7-bis(3-methoxy-4-oxidanyl-phenyl)-3,5-bis(oxidanylidene)hepta-1,6-dien-4-yl]-5-chloranyl-2-oxidanylidene-1H-indol-3-yl]-1,7-bis(3-methoxy-4-oxidanyl-phenyl)hepta-1,6-diene-3,5-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C50H42ClNO13 |
| InChI | InChI=1S/C50H42ClNO13/c1-62-43-23-28(5-15-35(43)53)9-19-39(57)47(40(58)20-10-29-6-16-36(54)44(24-29)63-2)50(33-27-32(51)13-14-34(33)52-49(50)61)48(41(59)21-11-30-7-17-37(55)45(25-30)64-3)42(60)22-12-31-8-18-38(56)46(26-31)65-4/h5-27,47-48,53-56H,1-4H3,(H,52,61)/b19-9+,20-10+,21-11+,22-12+ |
| InChIKey | YJBIOGLHSUUCOW-VLMYNYHDSA-N |
| Literature Reference DOI | 10.1002/ardp.201300203 |
| Molecular Weight | 900.333 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)Cl |
| SPLASH | splash10-0fg9-9472110000-330797e0609faaa4d25f |
| Source of Spectrum | APC-347-132-23 |
| Wiley ID | 1769580 |