Methyl (2E)-3-[5-acetoxy-9-(3-furyl)-4-hydroxy-3,3,5a,9a-tetramethyl-7-oxododecahydro[2]benzofuro[5,4-f]oxireno[d]isochromen-11b(1H)-yl]acrylate
Methyl (2E)-3-[5-acetoxy-9-(3-furyl)-4-hydroxy-3,3,5a,9a-tetramethyl-7-oxododecahydro[2]benzofuro[5,4-f]oxireno[d]isochromen-11b(1H)-yl]acrylate Structure
Systematic / IUPAC Name: Methyl (2E)-3-[5-acetoxy-9-(3-furyl)-4-hydroxy-3,3,5a,9a-tetramethyl-7-oxododecahydro[2]benzofuro[5,4-f]oxireno[d]isochromen-11b(1H)-yl]acrylate
ID: Reference7816
Other Names: 2-Propenoic acid, 3-[5-(acetyloxy)-9-(3-furanyl)dodecahydro-4-hydroxy-3,3,5a,9a-tetramethyl-7-oxofuro[3',4':5,6]naphth[2,1-c]oxireno[d]pyran-11b(1H)-yl]-, methyl ester, (2E)-
Formula: C29H36O10
Spectral Data
Methyl (2E)-3-[5-acetoxy-9-(3-furyl)-4-hydroxy-3,3,5a,9a-tetramethyl-7-oxododecahydro[2]benzofuro[5,4-f]oxireno[d]isochromen-11b(1H)-yl]acrylate 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 | 2 |
| No. of Spectra | 290 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/20/2018 5:27:29 AM |
Identificators
| InChI | InChI=1S/C29H36O10/c1-15(30)37-22-19(32)20-25(2,3)36-14-28(20,11-8-18(31)34-6)17-7-10-26(4)21(16-9-12-35-13-16)38-24(33)23-29(26,39-23)27(17,22)5/h8-9,11-13,17,19-23,32H,7,10,14H2,1-6H3/b11-8+ |
| InChI Key | XWOZTQQJYJMHSX-DHZHZOJOSA-N |
| Canonical SMILES | CC(=O)OC1C(C2C(OCC2(C3C1(C45C(O4)C(=O)OC(C5(CC3)C)C6=COC=C6)C)C=CC(=O)OC)(C)C)O |
| CAS | |
| Splash | |
| Other Names | 2-Propenoic acid, 3-[5-(acetyloxy)-9-(3-furanyl)dodecahydro-4-hydroxy-3,3,5a,9a-tetramethyl-7-oxofuro[3',4':5,6]naphth[2,1-c]oxireno[d]pyran-11b(1H)-yl]-, methyl ester, (2E)- |