| SpectraBase Spectrum ID |
2LdWYB7WVcz |
| Name |
2.alpha.,6.alpha.-dihydroxy-5-[(E)-3'-hydroxy-3'-methyl-1'-butenyl]-6-methyl-4-cyclohexen-3-one |
| Appearance |
Colorless gummy solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H18O4 |
| InChI |
InChI=1S/C12H18O4/c1-11(2,15)5-4-8-6-9(13)10(14)7-12(8,3)16/h4-6,10,14-16H,7H2,1-3H3/b5-4+/t10-,12+/m1/s1 |
| InChIKey |
CGPARFHPJHOJGS-PRANIUCASA-N |
| Instrument Name |
JMS-HX-110 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np030494o |
| Molecular Weight |
226.272 g/mol |
| Optical Rotation |
[a]D25 = +9.3 (c = 0.025, MeOH) |
| Reported Formula |
C12H18O4 |
| SMILES |
OC(\C=C\C1=CC([C@@](C[C@@]1(O)C)(O)[H])=O)(C)C |
| SPLASH |
splash10-0570-2900000000-6f5cf6499f0c85a322c2 |
| Source of Spectrum |
G4-67-1454-3 |
| Wiley ID |
1881869 |
![2.alpha.,6.alpha.-dihydroxy-5-[(E)-3'-hydroxy-3'-methyl-1'-butenyl]-6-methyl-4-cyclohexen-3-one](/api/spectrum/2LdWYB7WVcz/structure.png?h=300&w=458 "2.alpha.,6.alpha.-dihydroxy-5-[(E)-3'-hydroxy-3'-methyl-1'-butenyl]-6-methyl-4-cyclohexen-3-one")
