| SpectraBase Spectrum ID |
Ixjq5rno2ID |
| Name |
Prost-14-en-5-yn-1-oic acid, 11-(1,1-dimethylethoxy)-9-oxo-13-(phenylthio)-, methyl ester, (11.alpha.,13R,14E)-(.+-.)- |
| CAS Registry Number |
104220-94-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H44O4S |
| InChI |
InChI=1S/C31H44O4S/c1-6-7-8-9-16-21-28(36-24-18-13-12-14-19-24)30-25(20-15-10-11-17-22-29(33)34-5)26(32)23-27(30)35-31(2,3)4/h12-14,16,18-19,21,25,27-28,30H,6-9,11,17,20,22-23H2,1-5H3/b21-16+/t25-,27+,28+,30+/m0/s1 |
| InChIKey |
NJTBPXRWENDGBT-TZFMWDQZSA-N |
| Molecular Weight |
512.749 g/mol |
| SMILES |
[C@]1([C@@](CC([C@@]1(CC#CCCCC(=O)OC)[H])=O)(OC(C)(C)C)[H])([C@](Sc1ccccc1)(\C=C\CCCCC)[H])[H] |
| SPLASH |
splash10-03di-1920000000-0e04357168d928a58d10 |
| Source of Spectrum |
B-40-1220-7 |
| Synonyms |
Methyl (11beta,13R,14E)-11-tert-butoxy-9-oxo-13-(phenylsulfanyl)prost-14-en-5-yn-1-oate
Methyl (8R(*),11R(*),12R(*),13R(*),14E)-11-t-butoxy-9-oxo-13-(phenylthio)prost-14-en-5-ynoate |
| Wiley ID |
1400872 |
