Methyl (2S,4aS,6aR,7R,10aR,10bR)-2-(3-furyl)-7-hydroxy-6a,10b-dimethyl-4-oxo-1,4,4a,5,6,6a,7,10,10a,10b-decahydro-2H-benzo[f]isochromene-7-carboxylate
Methyl (2S,4aS,6aR,7R,10aR,10bR)-2-(3-furyl)-7-hydroxy-6a,10b-dimethyl-4-oxo-1,4,4a,5,6,6a,7,10,10a,10b-decahydro-2H-benzo[f]isochromene-7-carboxylate Structure
Systematic / IUPAC Name: Methyl (2S,4aS,6aR,7R,10aR,10bR)-2-(furan-3-yl)-7-hydroxy-6a,10b-dimethyl-4-oxo-2,4a,5,6,10,10a-hexahydro-1H-benzo[f]isochromene-7-carboxylate
ID: Reference7843
Other Names: 2H-Naphtho[2,1-c]pyran-7-carboxylic acid, 2-(3-furanyl)-1,4,4a,5,6,6a,7,10,10a,10b-decahydro-7-hydroxy-6a,10b-dimethyl-4-oxo-, methyl ester, (2S,4aS,6aR,7R,10aR,10bR)-
Formula: C21H26O6
Spectral Data
Methyl (2S,4aS,6aR,7R,10aR,10bR)-2-(3-furyl)-7-hydroxy-6a,10b-dimethyl-4-oxo-1,4,4a,5,6,6a,7,10,10a,10b-decahydro-2H-benzo[f]isochromene-7-carboxylate 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 | 112 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/23/2018 1:23:33 PM |
Identificators
| InChI | InChI=1S/C21H26O6/c1-19-11-15(13-7-10-26-12-13)27-17(22)14(19)6-9-20(2)16(19)5-4-8-21(20,24)18(23)25-3/h4,7-8,10,12,14-16,24H,5-6,9,11H2,1-3H3/t14-,15+,16-,19+,20-,21+/m1/s1 |
| InChI Key | WWNYZTBMVRRLJM-GOLBOHCDSA-N |
| Canonical SMILES | CC12CCC3C(=O)OC(CC3(C1CC=CC2(C(=O)OC)O)C)C4=COC=C4 |
| CAS | |
| Splash | |
| Other Names | 2H-Naphtho[2,1-c]pyran-7-carboxylic acid, 2-(3-furanyl)-1,4,4a,5,6,6a,7,10,10a,10b-decahydro-7-hydroxy-6a,10b-dimethyl-4-oxo-, methyl ester, (2S,4aS,6aR,7R,10aR,10bR)- |