| SpectraBase Spectrum ID |
Ip0tQo32YIm |
| Name |
2,5-dihydroxy-3-[[(1R,2S)-1,2,5,5-tetramethyl-2,3,4,6,7,8-hexahydronaphthalen-1-yl]methyl]-1,4-benzoquinone |
| Appearance |
Orange needles |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H28O4 |
| InChI |
InChI=1S/C21H28O4/c1-12-7-8-14-15(6-5-9-20(14,2)3)21(12,4)11-13-18(24)16(22)10-17(23)19(13)25/h10,12,22,25H,5-9,11H2,1-4H3/t12-,21+/m0/s1 |
| InChIKey |
DWHJQDAFVGOWST-LAJNKCICSA-N |
| Instrument Name |
LKB-9000S |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np030115r |
| Optical Rotation |
[a]D25 = +9.5 (c = 0.11, CHCl3) |
| SMILES |
OC=1C(C(=C(C(C1)=O)O)C[C@@]1([C@](CCC=2C(CCCC12)(C)C)(C)[H])C)=O |
| SPLASH |
splash10-0006-0901000000-30a98f76459e70b90930 |
| Source of Spectrum |
G4-66-1265-11 |
| Wiley ID |
1883987 |
![2,5-dihydroxy-3-[[(1R,2S)-1,2,5,5-tetramethyl-2,3,4,6,7,8-hexahydronaphthalen-1-yl]methyl]-1,4-benzoquinone](/api/spectrum/Ip0tQo32YIm/structure.png?h=300&w=458 "2,5-dihydroxy-3-[[(1R,2S)-1,2,5,5-tetramethyl-2,3,4,6,7,8-hexahydronaphthalen-1-yl]methyl]-1,4-benzoquinone")
