| SpectraBase Spectrum ID |
HB2T8jWMwAu |
| Name |
Heptacyclo[8.6.6.6(2,9).0(3,8).0(11,16).0(17,22).0(23,28)]octadocosa-3,5,7,11,13,15,17,19,21,23,25,27-dodecaene-1,2-dipropionic acid |
| Alternate Name(s) |
3-[2-(2-carboxyethyl)heptacyclo[8.6.6.6(2,9).0(3,8).0(11,16).0(17,22).0(23,28)]octacosa-3,5,7,11,13,15,17,19,21,23,25,27-dodecaen-1-yl]propanoic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C34H28O4 |
| InChI |
InChI=1S/C34H28O4/c35-29(36)17-19-33-25-13-5-1-9-21(25)31(22-10-2-6-14-26(22)33)32-23-11-3-7-15-27(23)34(33,20-18-30(37)38)28-16-8-4-12-24(28)32/h1-16,31-32H,17-20H2,(H,35,36)(H,37,38) |
| InChIKey |
RHHCJNHGLDKPEY-UHFFFAOYSA-N |
| Molecular Weight |
500.594 g/mol |
| SMILES |
OC(CCC12C3(CCC(=O)O)c4c(C(C(c5c2cccc5)c2c1cccc2)c1c3cccc1)cccc4)=O |
| SPLASH |
splash10-0006-0940000000-634cd60de7ba1e6719d8 |
| Source of Spectrum |
KC-0-132-2 |
| Wiley ID |
786966 |
![Heptacyclo[8.6.6.6(2,9).0(3,8).0(11,16).0(17,22).0(23,28)]octadocosa-3,5,7,11,13,15,17,19,21,23,25,27-dodecaene-1,2-dipropionic acid](/api/spectrum/HB2T8jWMwAu/structure.png?h=300&w=458 "Heptacyclo[8.6.6.6(2,9).0(3,8).0(11,16).0(17,22).0(23,28)]octadocosa-3,5,7,11,13,15,17,19,21,23,25,27-dodecaene-1,2-dipropionic acid")
