| SpectraBase Spectrum ID |
1fVY9SosJFV |
| Name |
21-(2,4,10-trioxa-adamant-3-yl)-heneicosan-3,5,11,13,15,17,19-heptaen-7,9-diyn-2-one |
| Alternate Name(s) |
21-((1R,5S)-2,4,10-trioxaadamantan-3-yl)henicosa-3,5,11,13,15,17,19-heptaen-7,9-diyn-2-one
21-((1R,3s,5S)-2,4,10-trioxaadamantan-3-yl)henicosa-3,5,11,13,15,17,19-heptaen-7,9-diyn-2-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H28O4 |
| InChI |
InChI=1S/C28H28O4/c1-24(29)19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-28-30-25-21-26(31-28)23-27(22-25)32-28/h2-4,6,8,10,12-19,25-27H,20-23H2,1H3/t25-,26+,27-,28+ |
| InChIKey |
BSGMRRBXAKXAPU-KMKVIZFGSA-N |
| Literature Reference DOI |
10.1002/prac.19943360806 |
| Molecular Weight |
428.528 g/mol |
| SMILES |
CC(C=CC=CC#CC#CC=CC=CC=CC=CC=CCC12O[C@]3(C[C@@](O2)(C[C@@](O1)(C3)[H])[H])[H])=O |
| SPLASH |
splash10-0006-9000000000-d798fcd32449f64d92f0 |
| Source of Spectrum |
JF-336-676-39 |
| Wiley ID |
1789916 |
