(1R,2R,3R,3aS,5aS,6R,7R,10R,10aR,10cR)-1,2,6,7-Tetrahydroxy-3,7,10a,10c-tetramethyl-4-oxo-2,3,3a,4,5a,6,6a,7,10,10a,10b,10c-dodecahydro-1H-phenanthro[10,1-bc]furan-10-yl β-D-glucopyranoside
(1R,2R,3R,3aS,5aS,6R,7R,10R,10aR,10cR)-1,2,6,7-Tetrahydroxy-3,7,10a,10c-tetramethyl-4-oxo-2,3,3a,4,5a,6,6a,7,10,10a,10b,10c-dodecahydro-1H-phenanthro[10,1-bc]furan-10-yl β-D-glucopyranoside Structure
Systematic / IUPAC Name: (1R,2R,3R,3aS,5aS,6R,7R,10R,10aR,10cR)-1,2,6,7-Tetrahydroxy-3,7,10a,10c-tetramethyl-4-oxo-2,3,3a,4,5a,6,6a,7,10,10a,10b,10c-dodecahydro-1H-phenanthro[10,1-bc]furan-10-yl β-D-glucopyranoside
ID: Reference8243
Other Names: 4H-Phenanthro[10,1-bc]furan-4-one, 10-(β-D-glucopyranosyloxy)-1,2,3,3a,5a,6,6a,7,10,10a,10b,10c-dodecahydro-1,2,6,7-tetrahydroxy-3,7,10a,10c-tetramethyl-, (1R,2R,3R,3aS,5aS,6R,7R,10R,10aR,10cR)-
Formula: C25H38O12
Spectral Data
(1R,2R,3R,3aS,5aS,6R,7R,10R,10aR,10cR)-1,2,6,7-Tetrahydroxy-3,7,10a,10c-tetramethyl-4-oxo-2,3,3a,4,5a,6,6a,7,10,10a,10b,10c-dodecahydro-1H-phenanthro[10,1-bc]furan-10-yl β-D-glucopyranoside 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 | 4 |
| No. of Spectra | 7452 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 10/16/2018 8:16:44 AM |
Identificators
| InChI | InChI=1S/C25H38O12/c1-8-11-21(33)37-20-17(32)18-23(2,34)6-5-10(24(18,3)19(25(11,20)4)15(30)12(8)27)36-22-16(31)14(29)13(28)9(7-26)35-22/h5-6,8-20,22,26-32,34H,7H2,1-4H3/t8-,9-,10-,11-,12-,13-,14+,15+,16-,17-,18?,19?,20-,22+,23-,24+,25+/m1/s1 |
| InChI Key | TYXFVKGQQWDJKA-YFXVJPQZSA-N |
| Canonical SMILES | CC1C(C(C2C3(C(C=CC(C3C(C4C2(C1C(=O)O4)C)O)(C)O)OC5C(C(C(C(O5)CO)O)O)O)C)O)O |
| CAS | |
| Splash | |
| Other Names | 4H-Phenanthro[10,1-bc]furan-4-one, 10-(β-D-glucopyranosyloxy)-1,2,3,3a,5a,6,6a,7,10,10a,10b,10c-dodecahydro-1,2,6,7-tetrahydroxy-3,7,10a,10c-tetramethyl-, (1R,2R,3R,3aS,5aS,6R,7R,10R,10aR,10cR)- |