(2a'R,3R,3'R,5R,5'R,6a'S,9a'R)-5-(3-Furyl)-3'-hydroxy-9a'-(hydroxymethyl)-5'-methyloctahydro-3'H,6a'H-spiro[furan-3,6'-naphtho[1,8a-b]oxet]-2-one
(2a'R,3R,3'R,5R,5'R,6a'S,9a'R)-5-(3-Furyl)-3'-hydroxy-9a'-(hydroxymethyl)-5'-methyloctahydro-3'H,6a'H-spiro[furan-3,6'-naphtho[1,8a-b]oxet]-2-one Structure
Systematic / IUPAC Name: (2aR,5'R,5aS,6R,7R,9R,9aR)-5'-(Furan-3-yl)-9-hydroxy-2a-(hydroxymethyl)-7-methylspiro[1,3,4,5,5a,7,8,9-octahydronaphtho[1,8a-b]oxete-6,3'-oxolane]-2'-one
ID: Reference7871
Other Names: Spiro[furan-3(2H),6'(8'H)-[2H,3H]naphth[1,8a-b]oxet]-2-one, 5-(3-furanyl)octahydro-3'-hydroxy-9'a-(hydroxymethyl)-5'-methyl-, (2a'R,3R,3'R,5R,5'R,6a'S,9a'R)-
Formula: C20H26O6
Spectral Data
(2a'R,3R,3'R,5R,5'R,6a'S,9a'R)-5-(3-Furyl)-3'-hydroxy-9a'-(hydroxymethyl)-5'-methyloctahydro-3'H,6a'H-spiro[furan-3,6'-naphtho[1,8a-b]oxet]-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 10:59:04 AM |
Identificators
| InChI | InChI=1S/C20H26O6/c1-12-7-16(22)20-11-25-18(20,10-21)5-2-3-15(20)19(12)8-14(26-17(19)23)13-4-6-24-9-13/h4,6,9,12,14-16,21-22H,2-3,5,7-8,10-11H2,1H3/t12-,14-,15-,16-,18+,19-,20+/m1/s1 |
| InChI Key | BWDPEGUHIBSSSY-PMKVJAKQSA-N |
| Canonical SMILES | CC1CC(C23COC2(CCCC3C14CC(OC4=O)C5=COC=C5)CO)O |
| CAS | |
| Splash | |
| Other Names | Spiro[furan-3(2H),6'(8'H)-[2H,3H]naphth[1,8a-b]oxet]-2-one, 5-(3-furanyl)octahydro-3'-hydroxy-9'a-(hydroxymethyl)-5'-methyl-, (2a'R,3R,3'R,5R,5'R,6a'S,9a'R)- |