![7-([1R,2R,3R,5S]-2-[4-(3-Chloro-phenoxy)-3-hydroxy-trans-1-butenyl]-3,5-dihydroxy-cyclopentyl)-cis-5-heptenoate](/api/spectrum/HpQSX4FE6Ci/structure.png?h=300&w=458 "7-([1R,2R,3R,5S]-2-[4-(3-Chloro-phenoxy)-3-hydroxy-trans-1-butenyl]-3,5-dihydroxy-cyclopentyl)-cis-5-heptenoate")
| SpectraBase Compound ID | 75inwD8otsa |
|---|---|
| InChI | InChI=1S/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28)/p-1/b3-1-,11-10+ |
| InChIKey | VJGGHXVGBSZVMZ-YVKATYTESA-M |
| Mol Weight | 423.91 g/mol |
| Molecular Formula | C22H28ClO6 |
| Exact Mass | 423.157441 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HpQSX4FE6Ci |
|---|---|
| Name | 7-([1R,2R,3R,5S]-2-[4-(3-Chloro-phenoxy)-3-hydroxy-trans-1-butenyl]-3,5-dihydroxy-cyclopentyl)-cis-5-heptenoate |
| Comments | sodium salt |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C22H28ClO6 |
| InChI | InChI=1S/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28)/p-1/b3-1-,11-10+ |
| InChIKey | VJGGHXVGBSZVMZ-YVKATYTESA-M |
| Instrument Name | Jeol FX-90 |
| NMR Standard | TMS Ext. |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | D2O |