| SpectraBase Spectrum ID |
B5daKkb1OgV |
| Name |
(3.beta,4.alpha,5.alpha,6.alpha)-2-Hydroxymethyl-5,6-(cyclohexan-1,1-diyldioxy)cyclohexen-3,4-diol |
| Alternate Name(s) |
(3aS,4S,5R,7aR)-6-(hydroxymethyl)-3a,4,5,7a-tetrahydrospiro[1,3-benzodioxole-2,1'-cyclohexane]-4,5-diol
2-Hydroxymethyl-5,6-(cyclohexan-1,1-diyldioxy)cyclohexen-3,4-diol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H20O5 |
| InChI |
InChI=1S/C13H20O5/c14-7-8-6-9-12(11(16)10(8)15)18-13(17-9)4-2-1-3-5-13/h6,9-12,14-16H,1-5,7H2/t9-,10-,11+,12-/m1/s1 |
| InChIKey |
KSALPSQLIAMDEV-WISYIIOYSA-N |
| Molecular Weight |
256.298 g/mol |
| SMILES |
O[C@]1([C@@](C(CO)=C[C@@]2([C@]1(OC1(O2)CCCCC1)[H])[H])(O)[H])[H] |
| SPLASH |
splash10-03di-0950000000-a6eaf3a3cf24a2c667e6 |
| Source of Spectrum |
AT-41-2034-8 |
| Wiley ID |
854792 |
