| SpectraBase Spectrum ID |
FN8pJ1GtTFn |
| Name |
Methyl(8R(*),11R(*),12R(*),13S(*),14E)-11-butoxy-9-oxo-13-(phenylthio)prost-14-en-5-ynoate |
| CAS Registry Number |
104220-93-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H44O4S |
| InChI |
InChI=1S/C31H44O4S/c1-4-6-8-9-16-21-29(36-25-18-13-12-14-19-25)31-26(20-15-10-11-17-22-30(33)34-3)27(32)24-28(31)35-23-7-5-2/h12-14,16,18-19,21,26,28-29,31H,4-9,11,17,20,22-24H2,1-3H3/b21-16+/t26-,28+,29-,31+/m0/s1 |
| InChIKey |
VRJLBDJLOIEDKQ-KZETWQAKSA-N |
| Molecular Weight |
512.749 g/mol |
| SMILES |
[C@]1([C@@](CC([C@@]1(CC#CCCCC(=O)OC)[H])=O)(OCCCC)[H])([C@@](Sc1ccccc1)(\C=C\CCCCC)[H])[H] |
| SPLASH |
splash10-03di-1910000000-1fe43e384e7c1fe10153 |
| Source of Spectrum |
B-40-1220-8 |
| Synonyms |
Methyl (11beta,13S,14E)-11-butoxy-9-oxo-13-(phenylsulfanyl)prost-14-en-5-yn-1-oate |
| Wiley ID |
1400871 |
