| SpectraBase Spectrum ID |
7iXViW8uQ7b |
| 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 |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
865.273440436 u |
| 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 |
| Molecular Weight |
865.888 g/mol |
| SMILES |
C1(C(NC2=C1C=CC=C2)=O)(C(C(\C=C\C=1C=CC(=C(C1)OC)O)=O)C(\C=C\C=1C=C(C(=CC1)O)OC)=O)C(C(\C=C\C=1C=CC(=C(C1)OC)O)=O)C(\C=C\C=1C=C(C(=CC1)O)OC)=O |
