2-(Hexopyranosyloxy)-1,20,25-trihydroxy-9,10,14-trimethyl-22-oxo-4,9-cyclo-9,10-secocholest-5-en-16-yl acetate
8156
Reference
2-(Hexopyranosyloxy)-1,20,25-trihydroxy-9,10,14-trimethyl-22-oxo-4,9-cyclo-9,10-secocholest-5-en-16-yl acetate Structure
Systematic / IUPAC Name: [17-(2,6-Dihydroxy-6-methyl-3-oxoheptan-2-yl)-3-hydroxy-4,4,9,13,14-pentamethyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate
ID: Reference8156
Other Names: 3-Heptanone, 2-[16-(acetyloxy)-2-(hexopyranosyloxy)-3-hydroxy-4,4,9,14-tetramethylestr-5-en-17-yl]-2,6-dihydroxy-6-methyl-
Formula: C38H62O12
Spectral Data
2-(Hexopyranosyloxy)-1,20,25-trihydroxy-9,10,14-trimethyl-22-oxo-4,9-cyclo-9,10-secocholest-5-en-16-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 | 155 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 8/20/2018 1:46:47 PM |
Identificators
| InChI | InChI=1S/C38H62O12/c1-19(40)48-23-17-37(8)25-11-10-20-21(16-22(31(45)34(20,4)5)49-32-29(44)28(43)27(42)24(18-39)50-32)35(25,6)14-15-36(37,7)30(23)38(9,47)26(41)12-13-33(2,3)46/h10,21-25,27-32,39,42-47H,11-18H2,1-9H3 |
| InChI Key | VJWYQRXPCZNDKS-UHFFFAOYSA-N |
| Canonical SMILES | CC(=O)OC1CC2(C3CC=C4C(C3(CCC2(C1C(C)(C(=O)CCC(C)(C)O)O)C)C)CC(C(C4(C)C)O)OC5C(C(C(C(O5)CO)O)O)O)C |
| CAS | |
| Splash | |
| Other Names | 3-Heptanone, 2-[16-(acetyloxy)-2-(hexopyranosyloxy)-3-hydroxy-4,4,9,14-tetramethylestr-5-en-17-yl]-2,6-dihydroxy-6-methyl- |