(1β,3β,8ξ,9ξ)-3-{[(1R)-4-O-(6-Deoxy-3-O-methylhexopyranosyl)hexopyranosyl]oxy}-1,14-dihydroxycard-20(22)-enolide
(1β,3β,8ξ,9ξ)-3-{[(1R)-4-O-(6-Deoxy-3-O-methylhexopyranosyl)hexopyranosyl]oxy}-1,14-dihydroxycard-20(22)-enolide Structure
Systematic / IUPAC Name: 3-[(1R,3R,10S,13R,14S,17R)-3-[(2R)-5-(3,5-Dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,14-dihydroxy-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: Reference8185
Other Names: Card-20(22)-enolide, 3-[[(1R)-4-O-(6-deoxy-3-O-methylhexopyranosyl)hexopyranosyl]oxy]-1,14-dihydroxy-, (1β,3β,8ξ,9ξ)-
Formula: C36H56O14
Spectral Data
(1β,3β,8ξ,9ξ)-3-{[(1R)-4-O-(6-Deoxy-3-O-methylhexopyranosyl)hexopyranosyl]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 | 155 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 8/30/2018 6:45:54 AM |
Identificators
| InChI | InChI=1S/C36H56O14/c1-16-26(40)31(45-4)29(43)33(47-16)50-30-23(14-37)49-32(28(42)27(30)41)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 | DQIYJLQYJNLYLJ-SLOABROESA-N |
| Canonical SMILES | CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3CC4CCC5C(C4(C(C3)O)C)CCC6(C5(CCC6C7=CC(=O)OC7)O)C)CO)O)OC)O |
| CAS | |
| Splash | |
| Other Names | Card-20(22)-enolide, 3-[[(1R)-4-O-(6-deoxy-3-O-methylhexopyranosyl)hexopyranosyl]oxy]-1,14-dihydroxy-, (1β,3β,8ξ,9ξ)- |