| SpectraBase Spectrum ID |
Ivbyh8g1UOj |
| Name |
[(2S,3S,4S,4aR,7S)-4a,7-dihydroxy-3,4,8,8-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)12-17-20(3,4)18(24)7-10-22(17,26)21(13,5)9-6-15-8-11-27-19(15)25/h8,13,16-18,24,26H,6-7,9-12H2,1-5H3/t13-,16+,17?,18+,21+,22-/m1/s1 |
| InChIKey |
HCAFASHGFRUTQF-BUUMHJOCSA-N |
| Ionization Type |
EI |
| Molecular Weight |
394.508 g/mol |
| Optical Rotation |
[a]D16.9 = -19.9 (c = 0.13, MeOH) |
| Reported Formula |
C22H34O6 |
| SMILES |
O[C@]1(CC[C@]2(C(C1(C)C)C[C@@]([C@]([C@@]2(CCC=1C(OCC1)=O)C)(C)[H])(OC(C)=O)[H])O)[H] |
| SPLASH |
splash10-0aor-6397000000-76ea384b9f317935eaa8 |
| Source of Spectrum |
CN103923076B |
| Wiley ID |
1850756 |
![[(2S,3S,4S,4aR,7S)-4a,7-dihydroxy-3,4,8,8-tetramethyl-4-[2-(5-oxo-2H-furan-4-yl)ethyl]decalin-2-yl] acetate](/api/spectrum/Ivbyh8g1UOj/structure.png?h=300&w=458 "[(2S,3S,4S,4aR,7S)-4a,7-dihydroxy-3,4,8,8-tetramethyl-4-[2-(5-oxo-2H-furan-4-yl)ethyl]decalin-2-yl] acetate")
