| SpectraBase Spectrum ID |
JtLgdhc4mic |
| Name |
[(2S,3S,4R,4aR,7S,8R,8aR)-7,8-dihydroxy-3,4,8,8a-tetramethyl-4-[2-(5-oxo-2H-furan-4-yl)ethyl]decalin-2-yl] acetate |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H34O6 |
| InChI |
InChI=1S/C22H34O6/c1-13-16(28-14(2)23)12-21(4)17(6-7-18(24)22(21,5)26)20(13,3)10-8-15-9-11-27-19(15)25/h9,13,16-18,24,26H,6-8,10-12H2,1-5H3/t13-,16+,17-,18+,20+,21-,22+/m1/s1 |
| InChIKey |
VQFKSFYMNDHIOL-UYUQIPAXSA-N |
| Ionization Type |
EI |
| Molecular Weight |
394.508 g/mol |
| Optical Rotation |
[a]D14.7 = +17.5 (c = 0.12, MeOH) |
| Reported Formula |
C22H34O6 |
| SMILES |
O[C@]1(CC[C@]2([C@]([C@@]1(C)O)(C[C@@]([C@]([C@@]2(CCC=1C(OCC1)=O)C)(C)[H])(OC(=O)C)[H])C)[H])[H] |
| SPLASH |
splash10-06zm-6297000000-e925245389b9b4f0f7a9 |
| Source of Spectrum |
CN103923076B |
| Wiley ID |
1850744 |
![[(2S,3S,4R,4aR,7S,8R,8aR)-7,8-dihydroxy-3,4,8,8a-tetramethyl-4-[2-(5-oxo-2H-furan-4-yl)ethyl]decalin-2-yl] acetate](/api/spectrum/JtLgdhc4mic/structure.png?h=300&w=458 "[(2S,3S,4R,4aR,7S,8R,8aR)-7,8-dihydroxy-3,4,8,8a-tetramethyl-4-[2-(5-oxo-2H-furan-4-yl)ethyl]decalin-2-yl] acetate")
