| SpectraBase Spectrum ID |
DKYmrEdQ1Mh |
| Name |
[(2S,3S,4R,4aR,8R,8aR)-3,4,8,8a-tetramethyl-7-oxo-4-[2-(5-oxo-2H-furan-3-yl)ethyl]decalin-2-yl] acetate |
| Appearance |
Colorless block crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H32O5 |
| InChI |
InChI=1S/C22H32O5/c1-13-17(24)6-7-19-21(4,9-8-16-10-20(25)26-12-16)14(2)18(27-15(3)23)11-22(13,19)5/h10,13-14,18-19H,6-9,11-12H2,1-5H3/t13-,14+,18-,19+,21-,22-/m0/s1 |
| InChIKey |
LHDNTSJGQDQXHV-FZGXWPCGSA-N |
| Ionization Type |
EI |
| Molecular Weight |
376.493 g/mol |
| Optical Rotation |
[a]D16.7 = +42.7 (c = 0.11, MeOH) |
| Reported Formula |
C22H32O5 |
| SMILES |
C1C[C@]2([C@@](C[C@@]([C@@](C)([C@@]2(CCC=2COC(C2)=O)C)[H])(OC(=O)C)[H])([C@](C1=O)(C)[H])C)[H] |
| SPLASH |
splash10-0019-9300000000-6475c11b96beeba09caf |
| Source of Spectrum |
CN103923076B |
| Wiley ID |
1850761 |
![[(2S,3S,4R,4aR,8R,8aR)-3,4,8,8a-tetramethyl-7-oxo-4-[2-(5-oxo-2H-furan-3-yl)ethyl]decalin-2-yl] acetate](/api/spectrum/DKYmrEdQ1Mh/structure.png?h=300&w=458 "[(2S,3S,4R,4aR,8R,8aR)-3,4,8,8a-tetramethyl-7-oxo-4-[2-(5-oxo-2H-furan-3-yl)ethyl]decalin-2-yl] acetate")
