| SpectraBase Spectrum ID |
6PKFlpgHSJP |
| Name |
[(2S,3S,4R,4aR,7R,8S,8aR)-7,8-dihydroxy-3,4,8,8a-tetramethyl-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 |
C22H34O6 |
| InChI |
InChI=1S/C22H34O6/c1-13-16(28-14(2)23)11-21(4)17(6-7-18(24)22(21,5)26)20(13,3)9-8-15-10-19(25)27-12-15/h10,13,16-18,24,26H,6-9,11-12H2,1-5H3/t13-,16+,17-,18-,20+,21-,22-/m1/s1 |
| InChIKey |
VZGCBKRNNNBDFL-UWUOPEMLSA-N |
| Ionization Type |
EI |
| Molecular Weight |
394.508 g/mol |
| Optical Rotation |
[a]D16.0 = -36.4 (c = 0.15, MeOH) |
| Reported Formula |
C22H34O6 |
| SMILES |
O[C@@]1(CC[C@]2([C@]([C@@]1(O)C)(C[C@@]([C@]([C@@]2(CCC=1COC(C1)=O)C)(C)[H])(OC(=O)C)[H])C)[H])[H] |
| SPLASH |
splash10-001r-9110000000-e9eb31809900454653bd |
| Source of Spectrum |
CN103923076B |
| Wiley ID |
1850760 |
![[(2S,3S,4R,4aR,7R,8S,8aR)-7,8-dihydroxy-3,4,8,8a-tetramethyl-4-[2-(5-oxo-2H-furan-3-yl)ethyl]decalin-2-yl] acetate](/api/spectrum/6PKFlpgHSJP/structure.png?h=300&w=458 "[(2S,3S,4R,4aR,7R,8S,8aR)-7,8-dihydroxy-3,4,8,8a-tetramethyl-4-[2-(5-oxo-2H-furan-3-yl)ethyl]decalin-2-yl] acetate")
