| SpectraBase Spectrum ID |
3f4oOlCMnNX |
| Name |
[(2S,3S,4R,4aS,7R)-7-hydroxy-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 |
C22H34O5 |
| InChI |
InChI=1S/C22H34O5/c1-13-18(27-14(2)23)12-17-16(6-7-19(24)21(17,3)4)22(13,5)10-8-15-9-11-26-20(15)25/h9,13,16-19,24H,6-8,10-12H2,1-5H3/t13-,16+,17?,18+,19-,22+/m1/s1 |
| InChIKey |
URPHWYJWBRBDRI-WQIWNUTGSA-N |
| Ionization Type |
EI |
| Molecular Weight |
378.509 g/mol |
| Optical Rotation |
[a]D16.8 = -96.3 (c = 0.12, MeOH) |
| Reported Formula |
C22H34O5 |
| 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])[H])[H] |
| SPLASH |
splash10-00ks-4952000000-93d7361beacc90622512 |
| Source of Spectrum |
CN103923076B |
| Wiley ID |
1850755 |
![[(2S,3S,4R,4aS,7R)-7-hydroxy-3,4,8,8-tetramethyl-4-[2-(5-oxo-2H-furan-4-yl)ethyl]decalin-2-yl] acetate](/api/spectrum/3f4oOlCMnNX/structure.png?h=300&w=458 "[(2S,3S,4R,4aS,7R)-7-hydroxy-3,4,8,8-tetramethyl-4-[2-(5-oxo-2H-furan-4-yl)ethyl]decalin-2-yl] acetate")
