(1aR,2S,5S,6R,7R,7aS)-5-Methyl-1a-(3-methyl-2-buten-1-yl)-1a,3,5,6,7,7a-hexahydro-2H-oxireno[g]isochromene-2,6,7-triol
8015
Reference
(1aR,2S,5S,6R,7R,7aS)-5-Methyl-1a-(3-methyl-2-buten-1-yl)-1a,3,5,6,7,7a-hexahydro-2H-oxireno[g]isochromene-2,6,7-triol Structure
Systematic / IUPAC Name: (1aR,2S,5S,6R,7R,7aS)-5-Methyl-1a-(3-methylbut-2-enyl)-2,3,5,6,7,7a-hexahydrooxireno[2,3-g]isochromene-2,6,7-triol
ID: Reference8015
Other Names: 2H-Oxireno[g][2]benzopyran-2,6,7-triol, 1a,3,5,6,7,7a-hexahydro-5-methyl-1a-(3-methyl-2-buten-1-yl)-, (1aR,2S,5S,6R,7R,7aS)-
Formula: C15H22O5
Spectral Data
(1aR,2S,5S,6R,7R,7aS)-5-Methyl-1a-(3-methyl-2-buten-1-yl)-1a,3,5,6,7,7a-hexahydro-2H-oxireno[g]isochromene-2,6,7-triol 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 | 315 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 5/31/2018 11:16:23 AM |
Identificators
| InChI | InChI=1S/C15H22O5/c1-7(2)4-5-15-13(18)9-6-19-8(3)11(16)10(9)12(17)14(15)20-15/h4,8,11-14,16-18H,5-6H2,1-3H3/t8-,11-,12+,13-,14-,15+/m0/s1 |
| InChI Key | ICHJNTDKHBXTFN-CMZGOGIXSA-N |
| Canonical SMILES | CC1C(C2=C(CO1)C(C3(C(C2O)O3)CC=C(C)C)O)O |
| CAS | |
| Splash | |
| Other Names | 2H-Oxireno[g][2]benzopyran-2,6,7-triol, 1a,3,5,6,7,7a-hexahydro-5-methyl-1a-(3-methyl-2-buten-1-yl)-, (1aR,2S,5S,6R,7R,7aS)- |