| SpectraBase Spectrum ID |
7EnaCrsXlm5 |
| Name |
[(2S,3S,4R,4aR,7R,8aR)-7-hydroxy-3,4,8a-trimethyl-8-methylene-4-[2-(5-oxo-2H-furan-4-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(4,10-8-16-9-11-26-20(16)25)14(2)18(27-15(3)23)12-22(13,19)5/h9,14,17-19,24H,1,6-8,10-12H2,2-5H3/t14-,17-,18+,19-,21+,22+/m1/s1 |
| InChIKey |
SSOXYUVRLPXPJZ-RBEYZWKDSA-N |
| Ionization Type |
EI |
| Molecular Weight |
376.493 g/mol |
| Optical Rotation |
[a]D16.4 = -38.2 (c = 0.12, MeOH) |
| SMILES |
O[C@@]1(CC[C@]2([C@@](C[C@@]([C@]([C@@]2(CCC=2C(OCC2)=O)C)(C)[H])(OC(=O)C)[H])(C1=C)C)[H])[H] |
| SPLASH |
splash10-0540-9301000000-0d556502253bf3d0a035 |
| Source of Spectrum |
CN103923076B |
| Wiley ID |
1850750 |
![[(2S,3S,4R,4aR,7R,8aR)-7-hydroxy-3,4,8a-trimethyl-8-methylene-4-[2-(5-oxo-2H-furan-4-yl)ethyl]decalin-2-yl] acetate](/api/spectrum/7EnaCrsXlm5/structure.png?h=300&w=458 "[(2S,3S,4R,4aR,7R,8aR)-7-hydroxy-3,4,8a-trimethyl-8-methylene-4-[2-(5-oxo-2H-furan-4-yl)ethyl]decalin-2-yl] acetate")
