| SpectraBase Spectrum ID |
1T4Vrn82ynA |
| Name |
4-[2-[(1R,2S,3S,4aR,8aR)-3-hydroxy-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-2H-furan-5-one |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H30O3 |
| InChI |
InChI=1S/C20H30O3/c1-13-6-5-7-17-19(3,10-8-15-9-11-23-18(15)22)14(2)16(21)12-20(13,17)4/h6,9,14,16-17,21H,5,7-8,10-12H2,1-4H3/t14-,16+,17-,19+,20+/m1/s1 |
| InChIKey |
WHJPJHGRUCOPEV-XUMBOQAASA-N |
| Ionization Type |
EI |
| Molecular Weight |
318.457 g/mol |
| Optical Rotation |
[a]D16.4 = -86.6 (c = 0.12, MeOH) |
| Reported Formula |
C20H30O3 |
| SMILES |
O[C@]1(C[C@@]2([C@](CCC=C2C)([C@]([C@@]1(C)[H])(CCC=1C(OCC1)=O)C)[H])C)[H] |
| SPLASH |
splash10-053i-9411000000-d3e6b8960d82909c32ba |
| Source of Spectrum |
CN103923076B |
| Wiley ID |
1850749 |
![4-[2-[(1R,2S,3S,4aR,8aR)-3-hydroxy-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-2H-furan-5-one](/api/spectrum/1T4Vrn82ynA/structure.png?h=300&w=458 "4-[2-[(1R,2S,3S,4aR,8aR)-3-hydroxy-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-2H-furan-5-one")
