(2E)-3-(Acetoxymethyl)-5-[(1S,4aR,8aR)-2-formyl-5,5,8a-trimethyl-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]-2-pentenoic acid
7503
Reference
(2E)-3-(Acetoxymethyl)-5-[(1S,4aR,8aR)-2-formyl-5,5,8a-trimethyl-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]-2-pentenoic acid Structure
Systematic / IUPAC Name: (2E)-3-(Acetoxymethyl)-5-[(1S,4aR,8aR)-2-formyl-5,5,8a-trimethyl-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]-2-pentenoic acid
ID: Reference7503
Other Names: 2-Pentenoic acid, 3-[(acetyloxy)methyl]-5-[(1S,4aR,8aR)-2-formyl-1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-1-naphthalenyl]-, (2E)-
Formula: C22H32O5
Spectral Data
(2E)-3-(Acetoxymethyl)-5-[(1S,4aR,8aR)-2-formyl-5,5,8a-trimethyl-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]-2-pentenoic 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 |
| No. of Spectral Trees | 1 |
| No. of Spectra | 162 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 3/9/2018 12:26:25 PM |
Identificators
| InChI | InChI=1S/C22H32O5/c1-15(24)27-14-16(12-20(25)26)6-8-18-17(13-23)7-9-19-21(2,3)10-5-11-22(18,19)4/h7,12-13,18-19H,5-6,8-11,14H2,1-4H3,(H,25,26)/b16-12+/t18-,19-,22+/m1/s1 |
| InChI Key | KLGPVOFVVYHEGO-VBIQWIQDSA-N |
| Canonical SMILES | CC(=O)OCC(=CC(=O)O)CCC1C(=CCC2C1(CCCC2(C)C)C)C=O |
| CAS | |
| Splash | |
| Other Names | 2-Pentenoic acid, 3-[(acetyloxy)methyl]-5-[(1S,4aR,8aR)-2-formyl-1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-1-naphthalenyl]-, (2E)- |