| SpectraBase Spectrum ID |
E7aq8OaGDD0 |
| Name |
(4R,5S,6R)-4,5,6-trihydroxy-5-methyl-2-(5-methyl-1-methylene-hex-4-enyl)cyclohex-2-en-1-one |
| Appearance |
oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H22O4 |
| InChI |
InChI=1S/C15H22O4/c1-9(2)6-5-7-10(3)11-8-12(16)15(4,19)14(18)13(11)17/h6,8,12,14,16,18-19H,3,5,7H2,1-2,4H3/t12-,14+,15+/m1/s1 |
| InChIKey |
FZRWFGUOALKHJG-SNPRPXQTSA-N |
| Instrument Name |
Montana State |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np049975d |
| Molecular Weight |
266.337 g/mol |
| Optical Rotation |
[a]D20 = +9.8 (c = 0.014, MeOH) |
| Reported Formula |
C15H20O3 |
| SMILES |
O[C@]1(C(C(=C[C@]([C@]1(C)O)(O)[H])C(=C)CCC=C(C)C)=O)[H] |
| SPLASH |
splash10-014i-9110000000-9413245b34be1edf50a7 |
| Source of Spectrum |
G4-67-1394-3 |
| Wiley ID |
1881856 |
