| SpectraBase Spectrum ID |
7xhzZSnIbhw |
| Name |
4-Pentenoic acid, 2-acetyl-5-[9,10-dihydro-1,3,6,8-tetrakis(methoxymethoxy)-9,10-dioxo-2-anthracenyl]-, 1,1-dimethylethyl ester, (E)-(.+-.)- |
| Alternate Name(s) |
1,3,6,8-Tetrakis(methoxymethoxy)-2-[5'-oxo-4'-[(tert-butyloxy)carbonyl]-1-hexenyl]anthraquinone
tert-butyl (4E)-2-acetyl-5-[1,3,6,8-tetrakis(methoxymethoxy)-9,10-dioxo-9,10-dihydro-2-anthracenyl]-4-pentenoate |
| CAS Registry Number |
99458-86-3 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C33H40O13 |
| InChI |
InChI=1S/C33H40O13/c1-19(34)21(32(37)46-33(2,3)4)10-9-11-22-25(43-16-39-6)14-24-28(31(22)45-18-41-8)30(36)27-23(29(24)35)12-20(42-15-38-5)13-26(27)44-17-40-7/h9,11-14,21H,10,15-18H2,1-8H3/b11-9+ |
| InChIKey |
CDHZYWXYEQNOLY-PKNBQFBNSA-N |
| Molecular Weight |
644.670 g/mol |
| SMILES |
c12C(c3c(cc(cc3C(c2cc(c(c1OCOC)\C=C\CC(C(OC(C)(C)C)=O)C(=O)C)OCOC)=O)OCOC)OCOC)=O |
| SPLASH |
splash10-0002-0009000000-ac1e2b96c13dfabaad32 |
| Source of Spectrum |
J-50-5536-13 |
| Wiley ID |
1412830 |
![4-Pentenoic acid, 2-acetyl-5-[9,10-dihydro-1,3,6,8-tetrakis(methoxymethoxy)-9,10-dioxo-2-anthracenyl]-, 1,1-dimethylethyl ester, (E)-(.+-.)-](/api/spectrum/7xhzZSnIbhw/structure.png?h=300&w=458 "4-Pentenoic acid, 2-acetyl-5-[9,10-dihydro-1,3,6,8-tetrakis(methoxymethoxy)-9,10-dioxo-2-anthracenyl]-, 1,1-dimethylethyl ester, (E)-(.+-.)-")
