![(3aS,4R,5R,7S,7aR)-7-Hydroxymethyl-2,2-dimethyl-hexahydro-benzo[1,3]dioxole-4,5-diol](/api/spectrum/5vmjh9EYgHy/structure.png?h=300&w=458 "(3aS,4R,5R,7S,7aR)-7-Hydroxymethyl-2,2-dimethyl-hexahydro-benzo[1,3]dioxole-4,5-diol")
| SpectraBase Compound ID | KJdeb3i23c |
|---|---|
| InChI | InChI=1S/C10H18O5/c1-10(2)14-8-5(4-11)3-6(12)7(13)9(8)15-10/h5-9,11-13H,3-4H2,1-2H3/t5-,6+,7+,8+,9-/m0/s1 |
| InChIKey | KGGUABRJBGQVQU-CBHQDSPSSA-N |
| Mol Weight | 218.25 g/mol |
| Molecular Formula | C10H18O5 |
| Exact Mass | 218.115424 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5vmjh9EYgHy |
|---|---|
| Name | (3aS,4R,5R,7S,7aR)-7-Hydroxymethyl-2,2-dimethyl-hexahydro-benzo[1,3]dioxole-4,5-diol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C10H18O5 |
| InChI | InChI=1S/C10H18O5/c1-10(2)14-8-5(4-11)3-6(12)7(13)9(8)15-10/h5-9,11-13H,3-4H2,1-2H3/t5-,6+,7+,8+,9-/m0/s1 |
| InChIKey | KGGUABRJBGQVQU-CBHQDSPSSA-N |
| Molecular Weight | 218.249 g/mol |
| SMILES | OC[C@]1([C@@]2([C@]([C@@]([C@@](C1)(O)[H])(O)[H])(OC(O2)(C)C)[H])[H])[H] |
| SPLASH | splash10-0zi3-9120000000-e6f266fe109a67e2ff6f |
| Source of Spectrum | F5-7-2625-27 |
| Synonyms | 7-(Hydroxymethyl)-2,2-dimethyl-hexahydrobenzo(1,3)-dioxole-4,5-diol (3aS,4R,5R,7S,7aR)-7-(Hydroxymethyl)-2,2-dimethyl-perhydro-1,3-benzodioxole-4,5-diol (3aS,4R,5R,7S,7aR)-7-(hydroxymethyl)-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-4,5-diol (3aS,4R,5R,7S,7aR)-7-(hydroxymethyl)-2,2-dimethylhexahydrobenzo[d][1,3]dioxole-4,5-diol |
| Wiley ID | 1696629 |