3-{[6-Deoxy-4-O-(β-D-glucopyranosyl)-α-L-mannopyranosyl]oxy}-14,16-dihydroxy-19-oxocard-20(22)-enolide
3-{[6-Deoxy-4-O-(β-D-glucopyranosyl)-α-L-mannopyranosyl]oxy}-14,16-dihydroxy-19-oxocard-20(22)-enolide Structure
Systematic / IUPAC Name: 3-[(2R,3R,4S,5R,6S)-3,4-Dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14,16-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
ID: Reference8075
Other Names: Card-20(22)-enolide, 3-[(6-deoxy-4-O-β-D-glucopyranosyl-α-L-mannopyranosyl)oxy]-14,16-dihydroxy-19-oxo-
Formula: C35H52O15
Spectral Data
3-{[6-Deoxy-4-O-(β-D-glucopyranosyl)-α-L-mannopyranosyl]oxy}-14,16-dihydroxy-19-oxocard-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 | 162 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/14/2018 1:26:11 PM |
Identificators
| InChI | InChI=1S/C35H52O15/c1-15-30(50-32-28(43)26(41)25(40)22(12-36)49-32)27(42)29(44)31(47-15)48-18-5-8-34(14-37)17(10-18)3-4-20-19(34)6-7-33(2)24(16-9-23(39)46-13-16)21(38)11-35(20,33)45/h9,14-15,17-22,24-32,36,38,40-45H,3-8,10-13H2,1-2H3/t15-,17?,18?,19?,20?,21?,22+,24?,25+,26-,27-,28+,29+,30-,31-,32-,33?,34?,35?/m0/s1 |
| InChI Key | PKLYKXCZFIDRLH-VAXRPSRISA-N |
| Canonical SMILES | CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)O)O)C)C=O)O)O)OC7C(C(C(C(O7)CO)O)O)O |
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| Splash | |
| Other Names | Card-20(22)-enolide, 3-[(6-deoxy-4-O-β-D-glucopyranosyl-α-L-mannopyranosyl)oxy]-14,16-dihydroxy-19-oxo- |