(2'R,3R,4'R,4a'R,5S,8a'S)-5-(3-Furyl)-4'-hydroxy-4a',5'-bis(hydroxymethyl)-2'-methyl-3',4,4',4a',5,7',8',8a'-octahydro-2'H-spiro[furan-3,1'-naphthalen]-2-one
(2'R,3R,4'R,4a'R,5S,8a'S)-5-(3-Furyl)-4'-hydroxy-4a',5'-bis(hydroxymethyl)-2'-methyl-3',4,4',4a',5,7',8',8a'-octahydro-2'H-spiro[furan-3,1'-naphthalen]-2-one Structure
Systematic / IUPAC Name: (1R,3R,4R,4aS,5'S,8aR)-5'-(Furan-3-yl)-1-hydroxy-8,8a-bis(hydroxymethyl)-3-methylspiro[1,2,3,4a,5,6-hexahydronaphthalene-4,3'-oxolane]-2'-one
ID: Reference7869
Other Names: Spiro[furan-3(2H),1'(2'H)-naphthalen]-2-one, 5-(3-furanyl)-3',4,4',4'a,5,7',8',8'a-octahydro-4'-hydroxy-4'a,5'-bis(hydroxymethyl)-2'-methyl-, (2'R,3R,4'R,4a'R,5S,8a'S)-
Formula: C20H26O6
Spectral Data
(2'R,3R,4'R,4a'R,5S,8a'S)-5-(3-Furyl)-4'-hydroxy-4a',5'-bis(hydroxymethyl)-2'-methyl-3',4,4',4a',5,7',8',8a'-octahydro-2'H-spiro[furan-3,1'-naphthalen]-2-one 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 | 5/1/2018 10:00:54 AM |
Identificators
| InChI | InChI=1S/C20H26O6/c1-12-7-17(23)20(11-22)14(9-21)3-2-4-16(20)19(12)8-15(26-18(19)24)13-5-6-25-10-13/h3,5-6,10,12,15-17,21-23H,2,4,7-9,11H2,1H3/t12-,15+,16-,17-,19-,20+/m1/s1 |
| InChI Key | GLNIOASGXMEGTM-LTPBQMFOSA-N |
| Canonical SMILES | CC1CC(C2(C(C13CC(OC3=O)C4=COC=C4)CCC=C2CO)CO)O |
| CAS | |
| Splash | |
| Other Names | Spiro[furan-3(2H),1'(2'H)-naphthalen]-2-one, 5-(3-furanyl)-3',4,4',4'a,5,7',8',8'a-octahydro-4'-hydroxy-4'a,5'-bis(hydroxymethyl)-2'-methyl-, (2'R,3R,4'R,4a'R,5S,8a'S)- |