6-Deoxy-α-L-mannopyranosyl-(1->3)-[β-D-glucopyranosyl-(1->6)]-1-O-[3,27-dihydroxy-27,28-dioxolup-20(29)-en-28-yl]-β-D-glucopyranose
6-Deoxy-α-L-mannopyranosyl-(1->3)-[β-D-glucopyranosyl-(1->6)]-1-O-[3,27-dihydroxy-27,28-dioxolup-20(29)-en-28-yl]-β-D-glucopyranose Structure
Systematic / IUPAC Name: 3a-[(2S,3R,4S,5R,6R)-3,5-Dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxycarbonyl-9-hydroxy-5b,8,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-5a-carboxylic acid
ID: Reference8186
Other Names: β-D-Glucopyranose, O-6-deoxy-α-L-mannopyranosyl-(1->3)-O-[β-D-glucopyranosyl-(1->6)]-1-O-[3,27-dihydroxy-27,28-dioxolup-20(29)-en-28-yl]-
Formula: C48H76O19
Spectral Data
6-Deoxy-α-L-mannopyranosyl-(1->3)-[β-D-glucopyranosyl-(1->6)]-1-O-[3,27-dihydroxy-27,28-dioxolup-20(29)-en-28-yl]-β-D-glucopyranose 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 7:51:43 AM |
Identificators
| InChI | InChI=1S/C48H76O19/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)38(66-40-36(57)33(54)30(51)21(3)63-40)32(53)25(65-41)19-62-39-35(56)34(55)31(52)24(18-49)64-39/h21-41,49-58H,1,8-19H2,2-7H3,(H,59,60)/t21-,22?,23?,24+,25+,26?,27?,28?,29?,30-,31+,32+,33+,34-,35+,36+,37+,38-,39+,40-,41-,45?,46?,47?,48?/m0/s1 |
| InChI Key | MYHLDHTXTZOTIK-KUFPYRFNSA-N |
| Canonical SMILES | CC1C(C(C(C(O1)OC2C(C(OC(C2O)OC(=O)C34CCC(C3C5CCC6C7(CCC(C(C7CCC6(C5(CC4)C(=O)O)C)(C)C)O)C)C(=C)C)COC8C(C(C(C(O8)CO)O)O)O)O)O)O)O |
| CAS | |
| Splash | |
| Other Names | β-D-Glucopyranose, O-6-deoxy-α-L-mannopyranosyl-(1->3)-O-[β-D-glucopyranosyl-(1->6)]-1-O-[3,27-dihydroxy-27,28-dioxolup-20(29)-en-28-yl]- |