(2R,3E)-5-(3-Chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3-methyl-1-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]-3-penten-2-yl acetate
7708
Reference
(2R,3E)-5-(3-Chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3-methyl-1-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]-3-penten-2-yl acetate Structure
Systematic / IUPAC Name: (2R,3E)-5-(3-Chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3-methyl-1-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]-3-penten-2-yl acetate
ID: Reference7708
Other Names: Benzaldehyde, 3-{(2E,4R)-4-(acetyloxy)-3-methyl-5-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]-2-penten-1-yl}-5-chloro-2,4-dihydroxy-6-methyl-
Formula: C25H33ClO6
Spectral Data
(2R,3E)-5-(3-Chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3-methyl-1-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]-3-penten-2-yl acetate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP FAIMS |
| No. of Spectral Trees | 1 |
| No. of Spectra | 162 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/5/2018 10:17:35 AM |
Identificators
| InChI | InChI=1S/C25H33ClO6/c1-13(7-9-18-23(30)19(12-27)15(3)22(26)24(18)31)21(32-17(5)28)11-25(6)14(2)8-10-20(29)16(25)4/h7,12,14,16,21,30-31H,8-11H2,1-6H3/b13-7+/t14-,16+,21-,25+/m1/s1 |
| InChI Key | JIHNIFVHUVCKQA-UNLBHNSFSA-N |
| Canonical SMILES | CC1CCC(=O)C(C1(C)CC(C(=CCC2=C(C(=C(C(=C2O)Cl)C)C=O)O)C)OC(=O)C)C |
| CAS | |
| Splash | |
| Other Names | Benzaldehyde, 3-{(2E,4R)-4-(acetyloxy)-3-methyl-5-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]-2-penten-1-yl}-5-chloro-2,4-dihydroxy-6-methyl- |