5-[(3E)-2,5-Diacetoxy-3-methyl-3-penten-1-yl]-1,1,4a-trimethyl-6-methylene-8-oxodecahydronaphthalene-2,7-diyl diacetate
8016
Reference
5-[(3E)-2,5-Diacetoxy-3-methyl-3-penten-1-yl]-1,1,4a-trimethyl-6-methylene-8-oxodecahydronaphthalene-2,7-diyl diacetate Structure
Systematic / IUPAC Name: [(E)-4-Acetyloxy-5-(3,6-diacetyloxy-5,5,8a-trimethyl-2-methylidene-4-oxo-4a,6,7,8-tetrahydro-1H-naphthalen-1-yl)-3-methylpent-2-enyl] acetate
ID: Reference8016
Other Names: 1(2H)-Naphthalenone, 2,7-bis(acetyloxy)-4-[(3E)-2,5-bis(acetyloxy)-3-methyl-3-penten-1-yl]octahydro-4a,8,8-trimethyl-3-methylene-
Formula: C28H40O9
Spectral Data
5-[(3E)-2,5-Diacetoxy-3-methyl-3-penten-1-yl]-1,1,4a-trimethyl-6-methylene-8-oxodecahydronaphthalene-2,7-diyl diacetate 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 | 3291 |
| Tandem Spectra | MS1, MS2, MS3 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 5/31/2018 12:05:39 PM |
Identificators
| InChI | InChI=1S/C28H40O9/c1-15(11-13-34-17(3)29)22(35-18(4)30)14-21-16(2)25(37-20(6)32)24(33)26-27(7,8)23(36-19(5)31)10-12-28(21,26)9/h11,21-23,25-26H,2,10,12-14H2,1,3-9H3/b15-11+ |
| InChI Key | STOYMKJWHHPSDH-RVDMUPIBSA-N |
| Canonical SMILES | CC(=CCOC(=O)C)C(CC1C(=C)C(C(=O)C2C1(CCC(C2(C)C)OC(=O)C)C)OC(=O)C)OC(=O)C |
| CAS | |
| Splash | |
| Other Names | 1(2H)-Naphthalenone, 2,7-bis(acetyloxy)-4-[(3E)-2,5-bis(acetyloxy)-3-methyl-3-penten-1-yl]octahydro-4a,8,8-trimethyl-3-methylene- |