| SpectraBase Compound ID | C4TYgVBFZVC |
|---|---|
| InChI | InChI=1S/C20H32O5/c1-2-3-4-5-16(21)6-7-17-18-11-14(8-9-25-13-20(23)24)10-15(18)12-19(17)22/h6-7,10,15-19,21-22H,2-5,8-9,11-13H2,1H3,(H,23,24)/b7-6+/t15-,16-,17?,18-,19+/m0/s1 |
| InChIKey | OXEROCNJZXXLDX-DMFCNMOOSA-N |
| Mol Weight | 352.5 g/mol |
| Molecular Formula | C20H32O5 |
| Exact Mass | 352.224974 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | F7hutr4cZ1V |
|---|---|
| Name | 3-Oxaisocarbacyclin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H32O5 |
| InChI | InChI=1S/C20H32O5/c1-2-3-4-5-16(21)6-7-17-18-11-14(8-9-25-13-20(23)24)10-15(18)12-19(17)22/h6-7,10,15-19,21-22H,2-5,8-9,11-13H2,1H3,(H,23,24)/b7-6+/t15-,16-,17?,18-,19+/m0/s1 |
| InChIKey | OXEROCNJZXXLDX-DMFCNMOOSA-N |
| Molecular Weight | 352.471 g/mol |
| SMILES | O[C@](\C=C\C1[C@@]2([C@](C[C@]1(O)[H])(C=C(C2)CCOCC(=O)O)[H])[H])(CCCCC)[H] |
| SPLASH | splash10-0a5c-0900000000-88d62dd1550ede03ba37 |
| Source of Spectrum | U1-1998-825-5 |
| Wiley ID | 751237 |