| SpectraBase Compound ID | 5sbrfW6pEIO |
|---|---|
| InChI | InChI=1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3/t7-,9-,11-/m1/s1 |
| InChIKey | AZKVWQKMDGGDSV-BCMRRPTOSA-N |
| Mol Weight | 226.23 g/mol |
| Molecular Formula | C11H14O5 |
| Exact Mass | 226.084124 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FpocOkl9Bcy |
|---|---|
| Name | Genipin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H14O5 |
| InChI | InChI=1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3/t7-,9-,11-/m1/s1 |
| InChIKey | AZKVWQKMDGGDSV-BCMRRPTOSA-N |
| Molecular Weight | 226.228 g/mol |
| SMILES | OCC=1[C@@]2([C@@](C(=CO[C@]2(O)[H])C(=O)OC)(CC1)[H])[H] |
| SPLASH | splash10-00bd-2910000000-cc5db4ce62dedbffe12d |
| Source of Spectrum | G4-59-1170-1 |
| Synonyms | (1R,4aS,7aS)-1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester (1R,4aS,7aS)-1-hydroxy-7-methylol-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester Methyl (1R,4aS,7aS)-1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate Methyl (1R,4aS,7aS)-7-(hydroxymethyl)-1-oxidanyl-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate |
| Wiley ID | 1606544 |