(3α,5β,8ξ,9ξ)-3-(β-D-Glucopyranosyloxy)-5,14-dihydroxycard-20(22)-enolide
8123
Reference
(3α,5β,8ξ,9ξ)-3-(β-D-Glucopyranosyloxy)-5,14-dihydroxycard-20(22)-enolide Structure
Systematic / IUPAC Name: 3-[(3R,5S,10R,13R,14S,17R)-5,14-Dihydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
ID: Reference8123
Other Names: Card-20(22)-enolide, 3-(β-D-glucopyranosyloxy)-5,14-dihydroxy-, (3α,5β,8ξ,9ξ)-
Formula: C29H44O10
Spectral Data
(3α,5β,8ξ,9ξ)-3-(β-D-Glucopyranosyloxy)-5,14-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 | 8/1/2018 11:32:02 AM |
Identificators
| InChI | InChI=1S/C29H44O10/c1-26-7-3-16(38-25-24(34)23(33)22(32)20(13-30)39-25)12-28(26,35)9-5-19-18(26)4-8-27(2)17(6-10-29(19,27)36)15-11-21(31)37-14-15/h11,16-20,22-25,30,32-36H,3-10,12-14H2,1-2H3/t16-,17-,18?,19?,20-,22-,23+,24-,25-,26-,27-,28+,29+/m1/s1 |
| InChI Key | FECZMYDDHKVQIA-MHLHJPRMSA-N |
| Canonical SMILES | CC12CCC(CC1(CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)O)OC6C(C(C(C(O6)CO)O)O)O |
| CAS | |
| Splash | |
| Other Names | Card-20(22)-enolide, 3-(β-D-glucopyranosyloxy)-5,14-dihydroxy-, (3α,5β,8ξ,9ξ)- |