(1β,3β,5β,9ξ)-3-{[6-Deoxy-4-O-(β-D-glucopyranosyl)-3-O-methyl-α-D-talopyranosyl]oxy}-1,14-dihydroxycard-20(22)-enolide
(1β,3β,5β,9ξ)-3-{[6-Deoxy-4-O-(β-D-glucopyranosyl)-3-O-methyl-α-D-talopyranosyl]oxy}-1,14-dihydroxycard-20(22)-enolide Structure
Systematic / IUPAC Name: 3-[(1R,3R,5R,8R,10S,13R,14S,17R)-1,14-Dihydroxy-3-[(2S,3S,4R,5S,6R)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
ID: Reference8500
Other Names: Card-20(22)-enolide, 3-[(6-deoxy-4-O-β-D-glucopyranosyl-3-O-methyl-α-D-talopyranosyl)oxy]-1,14-dihydroxy-, (1β,3β,5β,9ξ)-
Formula: C36H56O14
Spectral Data
(1β,3β,5β,9ξ)-3-{[6-Deoxy-4-O-(β-D-glucopyranosyl)-3-O-methyl-α-D-talopyranosyl]oxy}-1,14-dihydroxycard-20(22)-enolide 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 | 2049 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/20/2019 9:37:11 AM |
Identificators
| InChI | InChI=1S/C36H56O14/c1-16-30(50-32-28(42)27(41)26(40)23(14-37)49-32)31(45-4)29(43)33(47-16)48-19-12-18-5-6-22-21(35(18,3)24(38)13-19)7-9-34(2)20(8-10-36(22,34)44)17-11-25(39)46-15-17/h11,16,18-24,26-33,37-38,40-44H,5-10,12-15H2,1-4H3/t16-,18-,19-,20-,21?,22-,23-,24-,26-,27+,28-,29+,30+,31-,32+,33-,34-,35+,36+/m1/s1 |
| InChI Key | CMUOOPXNBJLJQK-XIYZJAHSSA-N |
| Canonical SMILES | CC1C(C(C(C(O1)OC2CC3CCC4C(C3(C(C2)O)C)CCC5(C4(CCC5C6=CC(=O)OC6)O)C)O)OC)OC7C(C(C(C(O7)CO)O)O)O |
| CAS | |
| Splash | |
| Other Names | Card-20(22)-enolide, 3-[(6-deoxy-4-O-β-D-glucopyranosyl-3-O-methyl-α-D-talopyranosyl)oxy]-1,14-dihydroxy-, (1β,3β,5β,9ξ)- |