(1S,2S,4S,5R,6R,7S,9R,12R)-12-Acetoxy-6-(acetoxymethyl)-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecane-4,5,7-triyl tri-(3-furoate)
(1S,2S,4S,5R,6R,7S,9R,12R)-12-Acetoxy-6-(acetoxymethyl)-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecane-4,5,7-triyl tri-(3-furoate) Structure
Systematic / IUPAC Name: (1S,2S,4S,5R,6R,7S,9R,12R)-12-Acetoxy-6-(acetoxymethyl)-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecane-4,5,7-triyl tri-(3-furoate)
ID: Reference8044
Other Names: 3-Furancarboxylic acid, (3R,5S,5aR,6R,7S,9S,9aS,10R)-10-(acetyloxy)-5a-[(acetyloxy)methyl]octahydro-9-hydroxy-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-5,6,7-triyl ester
Formula: C34H36O15
Spectral Data
(1S,2S,4S,5R,6R,7S,9R,12R)-12-Acetoxy-6-(acetoxymethyl)-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecane-4,5,7-triyl tri-(3-furoate) 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 | 2 |
| No. of Spectra | 7035 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/7/2018 8:40:01 AM |
Identificators
| InChI | InChI=1S/C34H36O15/c1-18(35)44-17-33-25(47-29(38)21-7-10-42-15-21)12-23-26(45-19(2)36)34(33,49-31(23,3)4)32(5,40)13-24(46-28(37)20-6-9-41-14-20)27(33)48-30(39)22-8-11-43-16-22/h6-11,14-16,23-27,40H,12-13,17H2,1-5H3/t23-,24+,25+,26-,27+,32+,33-,34+/m1/s1 |
| InChI Key | FILAAKXJIYRSAW-IIQYZKLLSA-N |
| Canonical SMILES | CC(=O)OCC12C(CC3C(C1(C(CC(C2OC(=O)C4=COC=C4)OC(=O)C5=COC=C5)(C)O)OC3(C)C)OC(=O)C)OC(=O)C6=COC=C6 |
| CAS | |
| Splash | |
| Other Names | 3-Furancarboxylic acid, (3R,5S,5aR,6R,7S,9S,9aS,10R)-10-(acetyloxy)-5a-[(acetyloxy)methyl]octahydro-9-hydroxy-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-5,6,7-triyl ester |