(3S,4R,8R,9E)-10-Methyl-5-methylene-6,14-dioxo-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-1(15),9-dien-3-yl (2Z)-2-methyl-2-butenoate
7512
Reference
(3S,4R,8R,9E)-10-Methyl-5-methylene-6,14-dioxo-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-1(15),9-dien-3-yl (2Z)-2-methyl-2-butenoate Structure
Systematic / IUPAC Name: (3S,4R,8R,9E)-10-Methyl-5-methylene-6,14-dioxo-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-1(15),9-dien-3-yl (2Z)-2-methyl-2-butenoate
ID: Reference7512
Other Names: 2-Butenoic acid, 2-methyl-, (3aR,4S,11E,12aR)-2,3,3a,4,5,9,10,12a-octahydro-11-methyl-3-methylene-2,7-dioxo-7H-9,6-methenofuro[2,3-f]oxacycloundecin-4-yl ester, (2Z)-
Formula: C20H22O6
Spectral Data
(3S,4R,8R,9E)-10-Methyl-5-methylene-6,14-dioxo-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-1(15),9-dien-3-yl (2Z)-2-methyl-2-butenoate 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 ; Orbitrap Fusion Lumos with ETD LBP FAIMS |
| No. of Spectral Trees | 5 |
| No. of Spectra | 6128 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 3/12/2018 9:35:36 AM |
Identificators
| InChI | InChI=1S/C20H22O6/c1-5-11(3)18(21)25-16-9-13-8-14(24-20(13)23)6-10(2)7-15-17(16)12(4)19(22)26-15/h5,7-8,14-17H,4,6,9H2,1-3H3/b10-7+,11-5-/t14?,15-,16+,17+/m1/s1 |
| InChI Key | FTPHYXGWMIZVMP-UGZAWPFQSA-N |
| Canonical SMILES | CC=C(C)C(=O)OC1CC2=CC(CC(=CC3C1C(=C)C(=O)O3)C)OC2=O |
| CAS | |
| Splash | |
| Other Names | 2-Butenoic acid, 2-methyl-, (3aR,4S,11E,12aR)-2,3,3a,4,5,9,10,12a-octahydro-11-methyl-3-methylene-2,7-dioxo-7H-9,6-methenofuro[2,3-f]oxacycloundecin-4-yl ester, (2Z)- |