(2E,6E,9E)-11-Hydroxy-7-(hydroxymethyl)-4,11-dimethyl-4-(4-methyl-3-penten-1-yl)-8-oxo-2,6,9-cycloundecatrien-1-yl 3-methyl-2-butenoate
7674
Reference
(2E,6E,9E)-11-Hydroxy-7-(hydroxymethyl)-4,11-dimethyl-4-(4-methyl-3-penten-1-yl)-8-oxo-2,6,9-cycloundecatrien-1-yl 3-methyl-2-butenoate Structure
Systematic / IUPAC Name: (2E,6E,9E)-11-Hydroxy-7-(hydroxymethyl)-4,11-dimethyl-4-(4-methyl-3-penten-1-yl)-8-oxo-2,6,9-cycloundecatrien-1-yl 3-methyl-2-butenoate
ID: Reference7674
Other Names: 2-Butenoic acid, 3-methyl-, (2E,6E,9E)-11-hydroxy-7-(hydroxymethyl)-4,11-dimethyl-4-(4-methyl-3-penten-1-yl)-8-oxo-2,6,9-cycloundecatrien-1-yl ester
Formula: C25H36O5
Spectral Data
(2E,6E,9E)-11-Hydroxy-7-(hydroxymethyl)-4,11-dimethyl-4-(4-methyl-3-penten-1-yl)-8-oxo-2,6,9-cycloundecatrien-1-yl 3-methyl-2-butenoate 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 | 4/3/2018 9:07:10 AM |
Identificators
| InChI | InChI=1S/C25H36O5/c1-18(2)8-7-12-24(5)13-9-20(17-26)21(27)10-15-25(6,29)22(11-14-24)30-23(28)16-19(3)4/h8-11,14-16,22,26,29H,7,12-13,17H2,1-6H3/b14-11+,15-10+,20-9+ |
| InChI Key | GYXPHGPELZUVGI-PYCFGKALSA-N |
| Canonical SMILES | CC(=CCCC1(CC=C(C(=O)C=CC(C(C=C1)OC(=O)C=C(C)C)(C)O)CO)C)C |
| CAS | |
| Splash | |
| Other Names | 2-Butenoic acid, 3-methyl-, (2E,6E,9E)-11-hydroxy-7-(hydroxymethyl)-4,11-dimethyl-4-(4-methyl-3-penten-1-yl)-8-oxo-2,6,9-cycloundecatrien-1-yl ester |