Methyl (3β,8α,9ξ,13α)-3-acetoxy-17-hydroxy-4,4,8,12,16-pentamethyl-15,19-dioxo-6,19-epoxyandrosta-11,16-diene-14-carboxylate
7658
Reference
Methyl (3β,8α,9ξ,13α)-3-acetoxy-17-hydroxy-4,4,8,12,16-pentamethyl-15,19-dioxo-6,19-epoxyandrosta-11,16-diene-14-carboxylate Structure
Systematic / IUPAC Name: Methyl (3β,8α,9ξ,13α)-3-acetoxy-17-hydroxy-4,4,8,12,16-pentamethyl-15,19-dioxo-6,19-epoxyandrosta-11,16-diene-14-carboxylate
ID: Reference7658
Other Names: Androsta-11,16-diene-14-carboxylic acid, 3-(acetyloxy)-6,19-epoxy-17-hydroxy-4,4,8,12,16-pentamethyl-15,19-dioxo-, methyl ester, (3β,8α,9ξ,13α)-
Formula: C28H36O8
Spectral Data
Methyl (3β,8α,9ξ,13α)-3-acetoxy-17-hydroxy-4,4,8,12,16-pentamethyl-15,19-dioxo-6,19-epoxyandrosta-11,16-diene-14-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 | 162 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 3/28/2018 8:13:38 AM |
Identificators
| InChI | InChI=1S/C28H36O8/c1-13-11-17-25(6,28(23(33)34-8)21(31)14(2)20(30)26(13,28)7)12-16-19-24(4,5)18(35-15(3)29)9-10-27(17,19)22(32)36-16/h11,16-19,30H,9-10,12H2,1-8H3/t16?,17?,18-,19?,25-,26-,27+,28+/m1/s1 |
| InChI Key | MYLOBISKHDRNEW-KRRNMHNDSA-N |
| Canonical SMILES | CC1=CC2C(CC3C4C2(CCC(C4(C)C)OC(=O)C)C(=O)O3)(C5(C1(C(=C(C5=O)C)O)C)C(=O)OC)C |
| CAS | |
| Splash | |
| Other Names | Androsta-11,16-diene-14-carboxylic acid, 3-(acetyloxy)-6,19-epoxy-17-hydroxy-4,4,8,12,16-pentamethyl-15,19-dioxo-, methyl ester, (3β,8α,9ξ,13α)- |