1,1,5a,7a,9,11b-Hexamethyl-7-methylene-3,8,11-trioxo-3,5a,5b,6,7,7a,8,9,11,11a,11b,12,13,13a-tetradecahydro-1H-isochromeno[7,8-g][2]benzoxepin-12-yl acetate
1,1,5a,7a,9,11b-Hexamethyl-7-methylene-3,8,11-trioxo-3,5a,5b,6,7,7a,8,9,11,11a,11b,12,13,13a-tetradecahydro-1H-isochromeno[7,8-g][2]benzoxepin-12-yl acetate Structure
Systematic / IUPAC Name: 1,1,5a,7a,9,11b-Hexamethyl-7-methylene-3,8,11-trioxo-3,5a,5b,6,7,7a,8,9,11,11a,11b,12,13,13a-tetradecahydro-1H-isochromeno[7,8-g][2]benzoxepin-12-yl acetate
ID: Reference7703
Other Names: 1H-Pyrano[3',4':5,6]naphth[2,1-c]oxepin-3,8,11(9H)-trione, 12-(acetyloxy)-5a,5b,6,7,7a,11a,11b,12,13,13a-decahydro-1,1,5a,7a,9,11b-hexamethyl-7-methylene-
Formula: C26H34O7
Spectral Data
1,1,5a,7a,9,11b-Hexamethyl-7-methylene-3,8,11-trioxo-3,5a,5b,6,7,7a,8,9,11,11a,11b,12,13,13a-tetradecahydro-1H-isochromeno[7,8-g][2]benzoxepin-12-yl acetate 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 | 4/5/2018 7:36:49 AM |
Identificators
| InChI | InChI=1S/C26H34O7/c1-13-11-17-24(6)10-9-19(28)33-23(4,5)16(24)12-18(32-15(3)27)26(17,8)20-22(30)31-14(2)21(29)25(13,20)7/h9-10,14,16-18,20H,1,11-12H2,2-8H3 |
| InChI Key | JFYYCQXZVIOBKU-UHFFFAOYSA-N |
| Canonical SMILES | CC1C(=O)C2(C(C(=O)O1)C3(C(CC4C(OC(=O)C=CC4(C3CC2=C)C)(C)C)OC(=O)C)C)C |
| CAS | |
| Splash | |
| Other Names | 1H-Pyrano[3',4':5,6]naphth[2,1-c]oxepin-3,8,11(9H)-trione, 12-(acetyloxy)-5a,5b,6,7,7a,11a,11b,12,13,13a-decahydro-1,1,5a,7a,9,11b-hexamethyl-7-methylene- |