(1aS,3S,4R,5S,5aS,8aR,10R,10aS)-3-Hydroxy-3,10-dimethyl-6-methylene-2,7-dioxododecahydrooxireno[7,8]cyclodeca[1,2-b]furan-4,5-diyl bis(2-methylacrylate)
(1aS,3S,4R,5S,5aS,8aR,10R,10aS)-3-Hydroxy-3,10-dimethyl-6-methylene-2,7-dioxododecahydrooxireno[7,8]cyclodeca[1,2-b]furan-4,5-diyl bis(2-methylacrylate) Structure
Systematic / IUPAC Name: (1aS,3S,4R,5S,5aS,8aR,10R,10aS)-3-Hydroxy-3,10-dimethyl-6-methylene-2,7-dioxododecahydrooxireno[7,8]cyclodeca[1,2-b]furan-4,5-diyl bis(2-methylacrylate)
ID: Reference7422
Other Names: 2-Propenoic acid, 2-methyl-, (1aS,3S,4R,5S,5aS,8aR,10R,10aS)-dodecahydro-3-hydroxy-3,10-dimethyl-6-methylene-2,7-dioxooxireno[7,8]cyclodeca[1,2-b]furan-4,5-diyl ester
Formula: C23H28O9
Spectral Data
(1aS,3S,4R,5S,5aS,8aR,10R,10aS)-3-Hydroxy-3,10-dimethyl-6-methylene-2,7-dioxododecahydrooxireno[7,8]cyclodeca[1,2-b]furan-4,5-diyl bis(2-methylacrylate) 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 | 3 |
| No. of Spectra | 8474 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/20/2018 7:58:14 AM |
Identificators
| InChI | InChI=1S/C23H28O9/c1-9(2)20(25)31-16-14-12(6)22(27)29-13(14)8-11(5)15-17(30-15)18(24)23(7,28)19(16)32-21(26)10(3)4/h11,13-17,19,28H,1,3,6,8H2,2,4-5,7H3/t11-,13-,14+,15+,16+,17+,19-,23-/m1/s1 |
| InChI Key | BWAZUXQZSXFTJK-FXCGHDBCSA-N |
| Canonical SMILES | CC1CC2C(C(C(C(C(=O)C3C1O3)(C)O)OC(=O)C(=C)C)OC(=O)C(=C)C)C(=C)C(=O)O2 |
| CAS | |
| Splash | |
| Other Names | 2-Propenoic acid, 2-methyl-, (1aS,3S,4R,5S,5aS,8aR,10R,10aS)-dodecahydro-3-hydroxy-3,10-dimethyl-6-methylene-2,7-dioxooxireno[7,8]cyclodeca[1,2-b]furan-4,5-diyl ester |