| SpectraBase Spectrum ID |
1xdQaYM8GSr |
| Name |
(3aS,4R,5S,7aS)-7-iodo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol |
| Appearance |
White, crystalline solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H13IO4 |
| InChI |
InChI=1S/C9H13IO4/c1-9(2)13-7-4(10)3-5(11)6(12)8(7)14-9/h3,5-8,11-12H,1-2H3/t5-,6+,7+,8-/m0/s1 |
| InChIKey |
CIUBLGKPGPFSRG-OSMVPFSASA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.jnatprod.5b00304 |
| Molecular Weight |
312.103 g/mol |
| Optical Rotation |
[a]D =+2.8 (c = 0.5, CHCl3) |
| Reported Formula |
C9H13(127)IO4 |
| SMILES |
O[C@@]1([C@](C=C([C@@]2([C@]1(OC(O2)(C)C)[H])[H])I)(O)[H])[H] |
| SPLASH |
splash10-01ot-0960000000-9af27f65b76ec732fdd1 |
| Source of Spectrum |
G4-78-1966-8 |
| Wiley ID |
1867554 |
