| SpectraBase Compound ID | 3UbInT3RFy0 |
|---|---|
| InChI | InChI=1S/C58H82O23/c1-27-17-22-57(53(69)81-51-49(77-36(10)66)47(75-34(8)64)45(73-32(6)62)39(79-51)26-71-30(4)60)23-24-58(52(67)68)37(43(57)28(27)2)15-16-41-55(13)20-19-42(54(11,12)40(55)18-21-56(41,58)14)80-50-48(76-35(9)65)46(74-33(7)63)44(72-31(5)61)38(78-50)25-70-29(3)59/h15,27-28,38-51H,16-26H2,1-14H3,(H,67,68)/t27-,28+,38-,39-,40?,41?,42+,43?,44-,45-,46+,47+,48-,49-,50+,51+,55-,56-,57+,58-/m1/s1 |
| InChIKey | YDHRHXGLTZXTMN-BCDQWXHPSA-N |
| Mol Weight | 1147.3 g/mol |
| Molecular Formula | C58H82O23 |
| Exact Mass | 1146.524689 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Mktk5D7k2X |
|---|---|
| Name | QUINOVIC-ACID_3-BETA-O-BETA-D-GLUCOPYRANOSIDE-28-O-BETA-D-GLUCOPYRANOSIDE_PERACETATE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H82O23 |
| InChI | InChI=1S/C58H82O23/c1-27-17-22-57(53(69)81-51-49(77-36(10)66)47(75-34(8)64)45(73-32(6)62)39(79-51)26-71-30(4)60)23-24-58(52(67)68)37(43(57)28(27)2)15-16-41-55(13)20-19-42(54(11,12)40(55)18-21-56(41,58)14)80-50-48(76-35(9)65)46(74-33(7)63)44(72-31(5)61)38(78-50)25-70-29(3)59/h15,27-28,38-51H,16-26H2,1-14H3,(H,67,68)/t27-,28+,38-,39-,40?,41?,42+,43?,44-,45-,46+,47+,48-,49-,50+,51+,55-,56-,57+,58-/m1/s1 |
| InChIKey | YDHRHXGLTZXTMN-BCDQWXHPSA-N |
| Literature Reference Author | F.J.ARRIAGA,A.RUMBERO,P.VAZQUEZ |
| Literature Reference Citation | PHYTOCHEM.,29,209(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)89038-B |
| Molecular Weight | 1147.275 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ25510 |