(4R,4aS,8aS)-1-Hydroxy-2-(hydroxymethyl)-5,5,8a-trimethyl-4-[(2E,4E,6E)-2,4,6-octatrienoyloxy]-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenecarboxylic acid
(4R,4aS,8aS)-1-Hydroxy-2-(hydroxymethyl)-5,5,8a-trimethyl-4-[(2E,4E,6E)-2,4,6-octatrienoyloxy]-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenecarboxylic acid Structure
Systematic / IUPAC Name: (4R,4aS,8aS)-1-Hydroxy-2-(hydroxymethyl)-5,5,8a-trimethyl-4-[(2E,4E,6E)-octa-2,4,6-trienoyl]oxy-4a,6,7,8-tetrahydro-4H-naphthalene-1-carboxylic acid
ID: Reference7915
Other Names: 1-Naphthalenecarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-1-hydroxy-2-(hydroxymethyl)-5,5,8a-trimethyl-4-[[(2E,4E,6E)-1-oxo-2,4,6-octatrien-1-yl]oxy]-, (4R,4aS,8aS)-
Formula: C23H32O6
Spectral Data
(4R,4aS,8aS)-1-Hydroxy-2-(hydroxymethyl)-5,5,8a-trimethyl-4-[(2E,4E,6E)-2,4,6-octatrienoyloxy]-1,4,4a,5,6,7,8,8a-octahydro-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 | 1 |
| No. of Spectra | 162 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 5/10/2018 7:44:30 AM |
Identificators
| InChI | InChI=1S/C23H32O6/c1-5-6-7-8-9-11-18(25)29-17-14-16(15-24)23(28,20(26)27)22(4)13-10-12-21(2,3)19(17)22/h5-9,11,14,17,19,24,28H,10,12-13,15H2,1-4H3,(H,26,27)/b6-5+,8-7+,11-9+/t17-,19+,22+,23?/m1/s1 |
| InChI Key | WQJXWXRSOBXAGZ-ZGUWDZGWSA-N |
| Canonical SMILES | CC=CC=CC=CC(=O)OC1C=C(C(C2(C1C(CCC2)(C)C)C)(C(=O)O)O)CO |
| CAS | |
| Splash | |
| Other Names | 1-Naphthalenecarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-1-hydroxy-2-(hydroxymethyl)-5,5,8a-trimethyl-4-[[(2E,4E,6E)-1-oxo-2,4,6-octatrien-1-yl]oxy]-, (4R,4aS,8aS)- |