Methyl 5,6-diacetoxy-10-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,8-trioxohexadecahydro-2H-naphtho[1,2-H]isochromene-2-carboxylate
Methyl 5,6-diacetoxy-10-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,8-trioxohexadecahydro-2H-naphtho[1,2-H]isochromene-2-carboxylate Structure
Systematic / IUPAC Name: Methyl 5,6-diacetyloxy-10-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,8-trioxo-4a,5,6,6a,9,10,10b,11-octahydronaphtho[1,2-H]isochromene-2-carboxylate
ID: Reference8008
Other Names: 2H-Phenanthro[1,2-c]pyran-2-carboxylic acid, 5,6-bis(acetyloxy)hexadecahydro-10-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,8-trioxo-, methyl ester
Formula: C30H40O11
Spectral Data
Methyl 5,6-diacetoxy-10-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,8-trioxohexadecahydro-2H-naphtho[1,2-H]isochromene-2-carboxylate 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 | 315 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 5/28/2018 12:44:01 PM |
Identificators
| InChI | InChI=1S/C30H40O11/c1-13-11-16-28(7)18(34)12-17(33)26(4,5)20(28)19(39-14(2)31)22(40-15(3)32)29(16,8)21-23(35)41-30(9,25(37)38-10)24(36)27(13,21)6/h16,18-22,34H,1,11-12H2,2-10H3 |
| InChI Key | FFXYBQSGDXRLHS-UHFFFAOYSA-N |
| Canonical SMILES | CC(=O)OC1C2C(C(=O)CC(C2(C3CC(=C)C4(C(C3(C1OC(=O)C)C)C(=O)OC(C4=O)(C)C(=O)OC)C)C)O)(C)C |
| CAS | |
| Splash | |
| Other Names | 2H-Phenanthro[1,2-c]pyran-2-carboxylic acid, 5,6-bis(acetyloxy)hexadecahydro-10-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,8-trioxo-, methyl ester |