| SpectraBase Spectrum ID |
KZGxfAchhT3 |
| Name |
(8R(*),12R(*),13R(*),14E)-9-oxo-13-(phenylthio)-10-oxaprost-14-en-5-ynenitrile |
| Alternate Name(s) |
7-{(3R,4R)-2-oxo-4-[(1S,2E)-1-(phenylsulfanyl)-2-octenyl]tetrahydro-3-furanyl}-5-heptynenitrile |
| CAS Registry Number |
104319-74-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H31NO2S |
| InChI |
InChI=1S/C25H31NO2S/c1-2-3-4-6-13-18-24(29-21-15-10-9-11-16-21)23-20-28-25(27)22(23)17-12-7-5-8-14-19-26/h9-11,13,15-16,18,22-24H,2-6,8,14,17,20H2,1H3/b18-13+/t22-,23+,24+/m1/s1 |
| InChIKey |
DKXJSZIGQJZUAR-WJXSUAEJSA-N |
| Molecular Weight |
409.588 g/mol |
| SMILES |
[C@@]1([C@](C(=O)OC1)(CC#CCCCC#N)[H])([C@@](Sc1ccccc1)(\C=C\CCCCC)[H])[H] |
| SPLASH |
splash10-014i-1920000000-620369da7879fa56493f |
| Source of Spectrum |
B-40-1261-14 |
| Wiley ID |
1373371 |
