| SpectraBase Spectrum ID |
s8oHpsYN6 |
| Name |
[(2S,3S,4R,4aR,8aR)-3,4,8,8a-tetramethyl-4-[2-(5-oxo-2H-furan-4-yl)ethyl]-1,2,3,4a,5,6-hexahydronaphthalen-2-yl] acetate |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H32O4 |
| InChI |
InChI=1S/C22H32O4/c1-14-7-6-8-19-21(4,11-9-17-10-12-25-20(17)24)15(2)18(26-16(3)23)13-22(14,19)5/h7,10,15,18-19H,6,8-9,11-13H2,1-5H3/t15-,18+,19-,21+,22+/m1/s1 |
| InChIKey |
JHQSDGKSPIGDRT-MMZXTBTKSA-N |
| Ionization Type |
EI |
| Molecular Weight |
360.494 g/mol |
| Optical Rotation |
[a]D16.7 = -97.7 (c = 0.10, MeOH) |
| Reported Formula |
C22H32O4 |
| SMILES |
C1C[C@]2([C@@](C[C@@]([C@]([C@@]2(CCC=2C(OCC2)=O)C)(C)[H])(OC(C)=O)[H])(C(=C1)C)C)[H] |
| SPLASH |
splash10-000i-9300000000-846f4f72550c0ecf1d72 |
| Source of Spectrum |
CN103923076B |
| Wiley ID |
1850748 |
![[(2S,3S,4R,4aR,8aR)-3,4,8,8a-tetramethyl-4-[2-(5-oxo-2H-furan-4-yl)ethyl]-1,2,3,4a,5,6-hexahydronaphthalen-2-yl] acetate](/api/spectrum/s8oHpsYN6/structure.png?h=300&w=458 "[(2S,3S,4R,4aR,8aR)-3,4,8,8a-tetramethyl-4-[2-(5-oxo-2H-furan-4-yl)ethyl]-1,2,3,4a,5,6-hexahydronaphthalen-2-yl] acetate")
