5-Formyl-4,8-dihydroxy-3-(3-methoxy-3-oxo-1-propen-2-yl)-8a-methyldecahydro-2-naphthalenyl 3,4-dihydroxy-2-methylenebutanoate
7844
Reference
5-Formyl-4,8-dihydroxy-3-(3-methoxy-3-oxo-1-propen-2-yl)-8a-methyldecahydro-2-naphthalenyl 3,4-dihydroxy-2-methylenebutanoate Structure
Systematic / IUPAC Name: [5-Formyl-4,8-dihydroxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-2-yl] 3,4-dihydroxy-2-methylidenebutanoate
ID: Reference7844
Other Names: 2-Naphthaleneacetic acid, 3-(3,4-dihydroxy-2-methylene-1-oxobutoxy)-8-formyldecahydro-1,5-dihydroxy-4a-methyl-α-methylene-, methyl ester
Formula: C21H30O9
Spectral Data
5-Formyl-4,8-dihydroxy-3-(3-methoxy-3-oxo-1-propen-2-yl)-8a-methyldecahydro-2-naphthalenyl 3,4-dihydroxy-2-methylenebutanoate 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 | 112 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/24/2018 7:05:43 AM |
Identificators
| InChI | InChI=1S/C21H30O9/c1-10(13(24)9-23)20(28)30-14-7-21(3)15(25)6-5-12(8-22)17(21)18(26)16(14)11(2)19(27)29-4/h8,12-18,23-26H,1-2,5-7,9H2,3-4H3 |
| InChI Key | KCSPYQSCNFOIII-UHFFFAOYSA-N |
| Canonical SMILES | CC12CC(C(C(C1C(CCC2O)C=O)O)C(=C)C(=O)OC)OC(=O)C(=C)C(CO)O |
| CAS | |
| Splash | |
| Other Names | 2-Naphthaleneacetic acid, 3-(3,4-dihydroxy-2-methylene-1-oxobutoxy)-8-formyldecahydro-1,5-dihydroxy-4a-methyl-α-methylene-, methyl ester |