| SpectraBase Spectrum ID |
HMTDINQ3xAt |
| Name |
(1S,3aR,7aR)-3a-methylspiro[1,2,3,4,5,7-hexahydroindene-6,2'-1,3-dioxolane]-1,7a-diol |
| Appearance |
Tan crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H20O4 |
| InChI |
InChI=1S/C12H20O4/c1-10-3-2-9(13)12(10,14)8-11(5-4-10)15-6-7-16-11/h9,13-14H,2-8H2,1H3/t9-,10+,12-/m0/s1 |
| InChIKey |
ZROBLXYLNCTAIE-UMNHJUIQSA-N |
| Instrument Name |
Bruker MicroTOF QII or Waters Xevo G2-XS or Waters GCT or Waters LCT |
| Ionization Type |
EI Positive ion |
| Literature Reference DOI |
10.1002/chem.202202429 |
| Molecular Weight |
228.288 g/mol |
| Optical Rotation |
[a]D25 = -4.6 (c = 1.0, CHCl3) |
| Quality |
67 |
| SMILES |
O[C@@]12[C@](CC[C@@]2(O)[H])(CCC2(C1)OCCO2)C |
| SPLASH |
splash10-0002-9110000000-1528d6ae9628ca8cf3d2 |
| Source of Spectrum |
QE-28-SM13-5 (DOI: 10.1002/chem.202202429) |
| Thin-Layer Chromatography |
0.14 (50% EtOAc/petroleum ether) |
| Wiley ID |
1900782 |
![(1S,3aR,7aR)-3a-methylspiro[1,2,3,4,5,7-hexahydroindene-6,2'-1,3-dioxolane]-1,7a-diol](/api/spectrum/HMTDINQ3xAt/structure.png?h=300&w=458 "(1S,3aR,7aR)-3a-methylspiro[1,2,3,4,5,7-hexahydroindene-6,2'-1,3-dioxolane]-1,7a-diol")
