| SpectraBase Spectrum ID |
1QIqgaX5qOq |
| Name |
(4S,5R,10R)-4-hydroxy-5-methoxy-10-methyl-oxecane-2,7-dione |
| Appearance |
Colorless gum |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H18O5 |
| InChI |
InChI=1S/C11H18O5/c1-7-3-4-8(12)5-10(15-2)9(13)6-11(14)16-7/h7,9-10,13H,3-6H2,1-2H3/t7-,9+,10-/m1/s1 |
| InChIKey |
RKWVKFFFOYCNSI-FKTZTGRPSA-N |
| Instrument Name |
ThermoFinnigan MAT95XL |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np0401415 |
| Molecular Weight |
230.260 g/mol |
| Optical Rotation |
[a]D29 = -67 (c = 0.015, MeOH) |
| Reported Formula |
C11H18O5 |
| SMILES |
O[C@]1(CC(O[C@@](CCC(C[C@]1(OC)[H])=O)(C)[H])=O)[H] |
| SPLASH |
splash10-0udi-3900000000-ad2728fae01cb9df326f |
| Source of Spectrum |
G4-67-1955-3 |
| Wiley ID |
1881574 |
