| SpectraBase Spectrum ID |
29qgQw1hNyu |
| Name |
(Z)-(1RS,3RS,5RS,6SR,8RS)-6-[3-(S)-acetoxy-1-octynyl]-3-phenyl-8-[7-(triphenylmethoxy)-2-heptenyl]dithiabicyclo[3.2.1]heptane |
| CAS Registry Number |
106470-69-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C48H54O3S2 |
| InChI |
InChI=1S/C48H54O3S2/c1-3-4-12-31-43(51-37(2)49)34-33-39-36-45-44(46(39)53-47(52-45)38-23-13-8-14-24-38)32-21-6-5-7-22-35-50-48(40-25-15-9-16-26-40,41-27-17-10-18-28-41)42-29-19-11-20-30-42/h6,8-11,13-21,23-30,39,43-47H,3-5,7,12,22,31-32,35-36H2,1-2H3/b21-6-/t39-,43+,44?,45-,46-,47?/m1/s1 |
| InChIKey |
IULWWCDFPCPWQQ-PWIVYZEUSA-N |
| Molecular Weight |
743.077 g/mol |
| SMILES |
[C@]12(SC(S[C@@](C2C\C=C/CCCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)(C[C@]1(C#C[C@@](OC(=O)C)(CCCCC)[H])[H])[H])c1ccccc1)[H] |
| SPLASH |
splash10-0006-0090000100-d2ac676297afdf42b345 |
| Source of Spectrum |
J-52-875-40 |
| Synonyms |
(1S)-1-pentyl-3-{3-phenyl-8-[(2Z)-7-(trityloxy)-2-heptenyl]-2,4-dithiabicyclo[3.2.1]oct-6-yl}-2-propynyl acetate |
| Wiley ID |
1416165 |
![(Z)-(1RS,3RS,5RS,6SR,8RS)-6-[3-(S)-acetoxy-1-octynyl]-3-phenyl-8-[7-(triphenylmethoxy)-2-heptenyl]dithiabicyclo[3.2.1]heptane](/api/spectrum/29qgQw1hNyu/structure.png?h=300&w=458 "(Z)-(1RS,3RS,5RS,6SR,8RS)-6-[3-(S)-acetoxy-1-octynyl]-3-phenyl-8-[7-(triphenylmethoxy)-2-heptenyl]dithiabicyclo[3.2.1]heptane")
