![alpha-{hexahydro-5alpha-hydroxy-4-[(E)-3S-hydroxy-1-octenyl]-(Z)-3alpha,6aalpha-2H-cyclopenta[b]furan-2-ylidene-m-toluic aicd,monosodium salt](/api/spectrum/A6gsMhtacod/structure.png?h=300&w=458 "alpha-{hexahydro-5alpha-hydroxy-4-[(E)-3S-hydroxy-1-octenyl]-(Z)-3alpha,6aalpha-2H-cyclopenta[b]furan-2-ylidene-m-toluic aicd,monosodium salt")
| SpectraBase Compound ID | DBJR8QE2zRb |
|---|---|
| InChI | InChI=1S/C23H30O5.Na/c1-2-3-4-8-17(24)9-10-19-20-13-18(28-22(20)14-21(19)25)12-15-6-5-7-16(11-15)23(26)27;/h5-7,9-12,17,19-22,24-25H,2-4,8,13-14H2,1H3,(H,26,27);/q;+1/p-1/b10-9+,18-12-;/t17-,19?,20+,21+,22-;/m0./s1 |
| InChIKey | BWUQIQFFJCJQMU-GDNNXSDKSA-M |
| Mol Weight | 408.46976928 g/mol |
| Molecular Formula | C23H29NaO5 |
| Exact Mass | 408.191268 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A6gsMhtacod |
|---|---|
| Name | alpha-{hexahydro-5alpha-hydroxy-4-[(E)-3S-hydroxy-1-octenyl]-(Z)-3alpha,6aalpha-2H-cyclopenta[b]furan-2-ylidene-m-toluic aicd,monosodium salt |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H29NaO5 |
| InChI | InChI=1S/C23H30O5.Na/c1-2-3-4-8-17(24)9-10-19-20-13-18(28-22(20)14-21(19)25)12-15-6-5-7-16(11-15)23(26)27;/h5-7,9-12,17,19-22,24-25H,2-4,8,13-14H2,1H3,(H,26,27);/q;+1/p-1/b10-9+,18-12-;/t17-,19?,20+,21+,22-;/m0./s1 |
| InChIKey | BWUQIQFFJCJQMU-GDNNXSDKSA-M |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 43461M |
| Solvent | Polysol-d |