| SpectraBase Spectrum ID |
13jUzJv9Zp |
| Name |
5-Heptenoic acid, 7-[3-hydroxy-5-oxo-2-[[(2-pentyl-1,3-dioxolan-2-yl)methyl]thio]cyclop entyl]-, methyl ester, [1S-[1.alpha.(Z),2.beta.,3.alpha.]]- |
| CAS Registry Number |
82542-38-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H36O6S |
| InChI |
InChI=1S/C22H36O6S/c1-3-4-9-12-22(27-13-14-28-22)16-29-21-17(18(23)15-19(21)24)10-7-5-6-8-11-20(25)26-2/h5,7,17,19,21,24H,3-4,6,8-16H2,1-2H3/b7-5-/t17-,19+,21+/m0/s1 |
| InChIKey |
ONIAVEPAJLFXHI-PCNUNPNUSA-N |
| Molecular Weight |
428.584 g/mol |
| SMILES |
O[C@@]1(CC([C@@]([C@]1(SCC1(OCCO1)CCCCC)[H])(C\C=C/CCCC(=O)OC)[H])=O)[H] |
| SPLASH |
splash10-006x-5911000000-27e3a2589f5f46725396 |
| Source of Spectrum |
F-38-158-0 |
| Synonyms |
Methyl (5Z)-7-((1S,2R,3R)-3-hydroxy-5-oxo-2-{[(2-pentyl-1,3-dioxolan-2-yl)methyl]sulfanyl}cyclopentyl)-5-heptenoate
Methyl ester of 13,14-dihydro-15-deoxy-15,15-ethylenedioxyprostaglandin-e2 |
| Wiley ID |
1380652 |
![5-Heptenoic acid, 7-[3-hydroxy-5-oxo-2-[[(2-pentyl-1,3-dioxolan-2-yl)methyl]thio]cyclop entyl]-, methyl ester, [1S-[1.alpha.(Z),2.beta.,3.alpha.]]-](/api/spectrum/13jUzJv9Zp/structure.png?h=300&w=458 "5-Heptenoic acid, 7-[3-hydroxy-5-oxo-2-[[(2-pentyl-1,3-dioxolan-2-yl)methyl]thio]cyclop entyl]-, methyl ester, [1S-[1.alpha.(Z),2.beta.,3.alpha.]]-")
