| SpectraBase Spectrum ID |
86kYc2GKmWT |
| Name |
19,20-dimethyl decacyclo[12.10.1.1(4,11).1(17,22).0(2,13).0(3,12).0(5,10).0(15,24).0(16,23).0(18,21)]heptacosa-5(10),6,8,19-tetraene-19,20-dicarboxylate |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H32O4 |
| InChI |
InChI=1S/C31H32O4/c1-34-30(32)28-26-16-9-17(27(26)29(28)31(33)35-2)25-23-15-8-14(22(23)24(16)25)20-18-12-7-13(19(18)21(15)20)11-6-4-3-5-10(11)12/h3-6,12-27H,7-9H2,1-2H3/t12-,13+,14+,15-,16-,17+,18-,19-,20?,21?,22+,23-,24+,25+,26-,27+/m1/s1 |
| InChIKey |
XBOCRYIWNTWYCF-LBWCCVIFSA-N |
| Instrument Name |
VG70-250S |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jccs.202100205 |
| Molecular Weight |
468.593 g/mol |
| SMILES |
[C@]12([C@]3(C[C@@]([C@]2(C(=C1C(=O)OC)C(OC)=O)[H])([C@]1([C@@]2([C@@]([C@]4(C5[C@@]6([C@]7(C[C@](c8c7cccc8)([C@]6(C5[C@@]2(C4)[H])[H])[H])[H])[H])[H])([C@]31[H])[H])[H])[H])[H])[H])[H] |
| SPLASH |
splash10-014i-0900300000-5536134aea8eefa7dabe |
| Source of Spectrum |
QA-68-2218-NB4 |
| Wiley ID |
1871881 |
![19,20-dimethyl decacyclo[12.10.1.1(4,11).1(17,22).0(2,13).0(3,12).0(5,10).0(15,24).0(16,23).0(18,21)]heptacosa-5(10),6,8,19-tetraene-19,20-dicarboxylate](/api/spectrum/86kYc2GKmWT/structure.png?h=300&w=458 "19,20-dimethyl decacyclo[12.10.1.1(4,11).1(17,22).0(2,13).0(3,12).0(5,10).0(15,24).0(16,23).0(18,21)]heptacosa-5(10),6,8,19-tetraene-19,20-dicarboxylate")
