| SpectraBase Spectrum ID |
CK6Twq7KclI |
| Name |
(3aS,4R,5R,7aS)-7-iodo-4-methoxy-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-5-ol |
| Appearance |
White crystalline solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H15IO4 |
| InChI |
InChI=1S/C10H15IO4/c1-10(2)14-7-5(11)4-6(12)8(13-3)9(7)15-10/h4,6-9,12H,1-3H3/t6-,7-,8-,9-/m1/s1 |
| InChIKey |
ISIZMFLIUAOEFU-FNCVBFRFSA-N |
| Instrument Name |
Autospec Premier Micromass magnetic-sector |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np4002866 |
| Molecular Weight |
326.130 g/mol |
| Optical Rotation |
[a]D = +51 (c = 0.5, CHCl3) |
| Reported Formula |
C10H15IO4 |
| SMILES |
O[C@]1([C@]([C@]2([C@](C(=C1)I)([H])OC(C)(C)O2)[H])(OC)[H])[H] |
| SPLASH |
splash10-014i-1901000000-d4e9690d3f3cac7951aa |
| Source of Spectrum |
G4-76-1517-Compound 8 |
| Thin-Layer Chromatography |
Rf = 0.4 (ethyl acetate/CH2Cl2/hexane, 4:2.5:5.5) |
| Wiley ID |
1865689 |
