| SpectraBase Compound ID | w6z9BEzZhk |
|---|---|
| InChI | InChI=1S/C49H78O18/c1-22(2)16-25-17-47(9,58)40-26-10-11-30-45(7)14-13-31(44(5,6)29(45)12-15-46(30,8)48(26)20-49(40,67-25)60-21-48)64-41-35(56)38(27(52)19-59-41)65-43-36(57)39(32(53)28(18-50)63-43)66-42-34(55)33(54)37(23(3)61-42)62-24(4)51/h16,23,25-43,50,52-58H,10-15,17-21H2,1-9H3/t23-,25+,26?,27-,28+,29?,30?,31?,32+,33-,34+,35+,36+,37-,38-,39-,40?,41-,42-,43-,45-,46+,47-,48-,49-/m0/s1 |
| InChIKey | MKPLIDATQPIMFJ-IVKVHCEUSA-N |
| Mol Weight | 955.1 g/mol |
| Molecular Formula | C49H78O18 |
| Exact Mass | 954.518816 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 | KVjZimDFOBs |
|---|---|
| Name | ZIZYPHOISIDE-E |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H78O18 |
| InChI | InChI=1S/C49H78O18/c1-22(2)16-25-17-47(9,58)40-26-10-11-30-45(7)14-13-31(44(5,6)29(45)12-15-46(30,8)48(26)20-49(40,67-25)60-21-48)64-41-35(56)38(27(52)19-59-41)65-43-36(57)39(32(53)28(18-50)63-43)66-42-34(55)33(54)37(23(3)61-42)62-24(4)51/h16,23,25-43,50,52-58H,10-15,17-21H2,1-9H3/t23-,25+,26?,27-,28+,29?,30?,31?,32+,33-,34+,35+,36+,37-,38-,39-,40?,41-,42-,43-,45-,46+,47-,48-,49-/m0/s1 |
| InChIKey | MKPLIDATQPIMFJ-IVKVHCEUSA-N |
| Literature Reference Author | D.LI,N.L.OWEN,P.PERERA,C.ANDERSSON,L.BOHLIN,P.A.COX,R.J.PUGM IRE,C.L.MAYNE,D.M.GR |
| Literature Reference Citation | J.NAT.PROD.,57,218(1994) |
| Literature Reference DOI | 10.1021/np50104a004 |
| Molecular Weight | 955.148 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWTS2268 |