1,28-Dihydroxy-26-oxo-22,26-epoxyergosta-5,24-dien-3-yl 6-O-hexopyranosylhexopyranoside
8217
Reference
1,28-Dihydroxy-26-oxo-22,26-epoxyergosta-5,24-dien-3-yl 6-O-hexopyranosylhexopyranoside Structure
Systematic / IUPAC Name: 2-[1-[1-Hydroxy-10,13-dimethyl-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-4-(hydroxymethyl)-5-methyl-2,3-dihydropyran-6-one
ID: Reference8217
Other Names: Ergosta-5,24-dien-26-one, 22,26-epoxy-3-[(6-O-hexopyranosylhexopyranosyl)oxy]-1,28-dihydroxy-
Formula: C40H62O15
Spectral Data
1,28-Dihydroxy-26-oxo-22,26-epoxyergosta-5,24-dien-3-yl 6-O-hexopyranosylhexopyranoside 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 | 9/27/2018 6:43:22 AM |
Identificators
| InChI | InChI=1S/C40H62O15/c1-17-19(14-41)11-26(53-36(17)50)18(2)23-7-8-24-22-6-5-20-12-21(13-29(43)40(20,4)25(22)9-10-39(23,24)3)52-38-35(49)33(47)31(45)28(55-38)16-51-37-34(48)32(46)30(44)27(15-42)54-37/h5,18,21-35,37-38,41-49H,6-16H2,1-4H3 |
| InChI Key | TZLCZBLLJUXBSB-UHFFFAOYSA-N |
| Canonical SMILES | CC1=C(CC(OC1=O)C(C)C2CCC3C2(CCC4C3CC=C5C4(C(CC(C5)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)O)O)O)O)O)O)O)C)C)CO |
| CAS | |
| Splash | |
| Other Names | Ergosta-5,24-dien-26-one, 22,26-epoxy-3-[(6-O-hexopyranosylhexopyranosyl)oxy]-1,28-dihydroxy- |