6-Deoxyhexopyranosyl-(1->4)-[hexopyranosyl-(1->6)]-1-O-[27-hydroxy-3,27,28-trioxolup-20(29)-en-28-yl]hexopyranose
6-Deoxyhexopyranosyl-(1->4)-[hexopyranosyl-(1->6)]-1-O-[27-hydroxy-3,27,28-trioxolup-20(29)-en-28-yl]hexopyranose Structure
Systematic / IUPAC Name: 3a-[3,4-Dihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxycarbonyl-5b,8,8,11a-tetramethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-5a-carboxylic acid
ID: Reference8499
Other Names: Hexopyranose, O--6-deoxyhexopyranosyl-(1->4)-O-[hexopyranosyl-(1->6)]-1-O-[27-hydroxy-3,27,28-trioxolup-20(29)-en-28-yl]-
Formula: C48H74O19
Spectral Data
6-Deoxyhexopyranosyl-(1->4)-[hexopyranosyl-(1->6)]-1-O-[27-hydroxy-3,27,28-trioxolup-20(29)-en-28-yl]hexopyranose 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 | 926 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/20/2019 6:57:13 AM |
Identificators
| InChI | InChI=1S/C48H74O19/c1-20(2)22-10-15-47(16-17-48(42(59)60)23(29(22)47)8-9-27-45(6)13-12-28(50)44(4,5)26(45)11-14-46(27,48)7)43(61)67-41-37(58)34(55)38(66-40-36(57)32(53)30(51)21(3)63-40)25(65-41)19-62-39-35(56)33(54)31(52)24(18-49)64-39/h21-27,29-41,49,51-58H,1,8-19H2,2-7H3,(H,59,60) |
| InChI Key | LSHAJDRFVTXNOB-UHFFFAOYSA-N |
| Canonical SMILES | CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC(=O)C34CCC(C3C5CCC6C7(CCC(=O)C(C7CCC6(C5(CC4)C(=O)O)C)(C)C)C)C(=C)C)COC8C(C(C(C(O8)CO)O)O)O)O)O)O |
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| Splash | |
| Other Names | Hexopyranose, O--6-deoxyhexopyranosyl-(1->4)-O-[hexopyranosyl-(1->6)]-1-O-[27-hydroxy-3,27,28-trioxolup-20(29)-en-28-yl]- |