| SpectraBase Compound ID | GpBH2FUJwC4 |
|---|---|
| InChI | InChI=1S/C50H80O18/c1-24-43(54)35(57-9)21-41(60-24)66-44-25(2)61-39(20-34(44)53)67-45-27(4)63-42(23-37(45)59-11)68-46-26(3)62-40(22-36(46)58-10)65-31-14-15-47(7)30(18-31)12-13-32-33(47)19-38(64-29(6)52)48(8)49(55,28(5)51)16-17-50(32,48)56/h12,24-27,31-46,53-56H,13-23H2,1-11H3/t24-,25-,26+,27-,31-,32+,33-,34-,35-,36-,37+,38+,39+,40-,41+,42+,43-,44-,45-,46+,47-,48+,49+,50-/m0/s1 |
| InChIKey | MNLRSSZRDQTZAX-UGMRECGESA-N |
| Mol Weight | 969.2 g/mol |
| Molecular Formula | C50H80O18 |
| Exact Mass | 968.534466 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1d6ZJFdYtFF |
|---|---|
| Name | #4;12-O-ACETYL-PERGULARIN-3-O-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CANAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H80O18 |
| InChI | InChI=1S/C50H80O18/c1-24-43(54)35(57-9)21-41(60-24)66-44-25(2)61-39(20-34(44)53)67-45-27(4)63-42(23-37(45)59-11)68-46-26(3)62-40(22-36(46)58-10)65-31-14-15-47(7)30(18-31)12-13-32-33(47)19-38(64-29(6)52)48(8)49(55,28(5)51)16-17-50(32,48)56/h12,24-27,31-46,53-56H,13-23H2,1-11H3/t24-,25-,26+,27-,31-,32+,33-,34-,35-,36-,37+,38+,39+,40-,41+,42+,43-,44-,45-,46+,47-,48+,49+,50-/m0/s1 |
| InChIKey | MNLRSSZRDQTZAX-UGMRECGESA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | CHEM.PHARM.BULL.,46,1752(1998) |
| Literature Reference DOI | 10.1248/cpb.46.1752 |
| Molecular Weight | 969.174 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS20828 |