| SpectraBase Spectrum ID |
IGdmCILHi6d |
| Name |
(8R*,12R*,13R*,14E)-9-oxo-13-(phenylthio)-10-oxaprost-14-en-5-ynoic acid |
| Alternate Name(s) |
7-{(3R,4R)-2-oxo-4-[(1R,2E)-1-(phenylsulfanyl)-2-octenyl]tetrahydro-3-furanyl}-5-heptynoic acid |
| CAS Registry Number |
104319-77-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H32O4S |
| InChI |
InChI=1S/C25H32O4S/c1-2-3-4-5-12-17-23(30-20-14-9-8-10-15-20)22-19-29-25(28)21(22)16-11-6-7-13-18-24(26)27/h8-10,12,14-15,17,21-23H,2-5,7,13,16,18-19H2,1H3,(H,26,27)/b17-12+/t21-,22+,23-/m1/s1 |
| InChIKey |
LAGBWOFLUATCKU-LZVOTAODSA-N |
| Molecular Weight |
428.587 g/mol |
| SMILES |
OC(CCCC#CC[C@]1(C(=O)OC[C@@]1([C@](Sc1ccccc1)(\C=C\CCCCC)[H])[H])[H])=O |
| SPLASH |
splash10-08fr-2900000000-a0b00f61fb7f3fc060ed |
| Source of Spectrum |
B-40-1263-21 |
| Wiley ID |
1380749 |
