![alpha-{4-[(E)-3-CYCLOHEXYL-3S-HYDROXYPROPENYL]HEXAHYDRO-5alpha-HYDROXY-(Z)-3alpha,6aalpha-2H-CYCLOPENTA[b]FURAN-2-YLIDENE}-m-TOLUIC ACID, MONOSODIUM SALT](/api/spectrum/5dA21KCxCRN/structure.png?h=300&w=458 "alpha-{4-[(E)-3-CYCLOHEXYL-3S-HYDROXYPROPENYL]HEXAHYDRO-5alpha-HYDROXY-(Z)-3alpha,6aalpha-2H-CYCLOPENTA[b]FURAN-2-YLIDENE}-m-TOLUIC ACID, MONOSODIUM SALT")
| SpectraBase Compound ID | 4Wm7ZMECR8E |
|---|---|
| InChI | InChI=1S/C24H30O5.Na/c25-21(16-6-2-1-3-7-16)10-9-19-20-13-18(29-23(20)14-22(19)26)12-15-5-4-8-17(11-15)24(27)28;/h4-5,8-12,16,19-23,25-26H,1-3,6-7,13-14H2,(H,27,28);/q;+1/p-1/b10-9+,18-12-;/t19?,20-,21-,22-,23+;/m1./s1 |
| InChIKey | KPQVOJYDUCZQEQ-KXWOLWCYSA-M |
| Mol Weight | 420.48076928 g/mol |
| Molecular Formula | C24H29NaO5 |
| Exact Mass | 420.191268 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5dA21KCxCRN |
|---|---|
| Name | alpha-[4-[(E)-3-cyclohexyl-3S-hydroxypropenyl]hexahydro-5alpha-hydroxy-(Z)-3alpha,6aalpha-2H-cyclopenta[b]furan-2-ylidene]-m-toluic acid, monosodium salt |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H29NaO5 |
| InChI | InChI=1S/C24H30O5.Na/c25-21(16-6-2-1-3-7-16)10-9-19-20-13-18(29-23(20)14-22(19)26)12-15-5-4-8-17(11-15)24(27)28;/h4-5,8-12,16,19-23,25-26H,1-3,6-7,13-14H2,(H,27,28);/q;+1/p-1/b10-9+,18-12-;/t19?,20-,21-,22-,23+;/m1./s1 |
| InChIKey | KPQVOJYDUCZQEQ-KXWOLWCYSA-M |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 43460M |
| Solvent | Polysol-d |