(1S,4aR,5S)-5-[(3E)-5-Methoxy-3-methyl-5-oxo-3-penten-1-yl]-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenecarboxylic acid
7868
Reference
(1S,4aR,5S)-5-[(3E)-5-Methoxy-3-methyl-5-oxo-3-penten-1-yl]-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenecarboxylic acid Structure
Systematic / IUPAC Name: (1S,4aR,5S)-5-[(E)-5-Methoxy-3-methyl-5-oxopent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
ID: Reference7868
Other Names: 1-Naphthalenecarboxylic acid, decahydro-5-[(3E)-5-methoxy-3-methyl-5-oxo-3-penten-1-yl]-1,4a-dimethyl-6-methylene-, (1S,4aR,5S)-
Formula: C21H32O4
Spectral Data
(1S,4aR,5S)-5-[(3E)-5-Methoxy-3-methyl-5-oxo-3-penten-1-yl]-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenecarboxylic acid 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 | 2 |
| No. of Spectra | 392 |
| Tandem Spectra | MS1, MS2, MS3 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 5/1/2018 9:59:13 AM |
Identificators
| InChI | InChI=1S/C21H32O4/c1-14(13-18(22)25-5)7-9-16-15(2)8-10-17-20(16,3)11-6-12-21(17,4)19(23)24/h13,16-17H,2,6-12H2,1,3-5H3,(H,23,24)/b14-13+/t16-,17?,20+,21-/m0/s1 |
| InChI Key | AKIRMBMADXTLAC-BMXXHOQXSA-N |
| Canonical SMILES | CC(=CC(=O)OC)CCC1C(=C)CCC2C1(CCCC2(C)C(=O)O)C |
| CAS | |
| Splash | |
| Other Names | 1-Naphthalenecarboxylic acid, decahydro-5-[(3E)-5-methoxy-3-methyl-5-oxo-3-penten-1-yl]-1,4a-dimethyl-6-methylene-, (1S,4aR,5S)- |