| SpectraBase Compound ID | 4FCu7m04XcB |
|---|---|
| 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)37(27(52)19-59-41)65-42-36(57)38(33(54)28(18-50)63-42)66-43-39(62-24(4)51)34(55)32(53)23(3)61-43/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+/m1/s1 |
| InChIKey | VGQMQJJZSGPGOI-QDOJAXCNSA-N |
| Mol Weight | 955.1 g/mol |
| Molecular Formula | C49H78O18 |
| Exact Mass | 954.518816 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Aaiq3FFmQzq |
|---|---|
| Name | ZIZYPHOISIDE-D |
| Compound Number | 2 |
| 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)37(27(52)19-59-41)65-42-36(57)38(33(54)28(18-50)63-42)66-43-39(62-24(4)51)34(55)32(53)23(3)61-43/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+/m1/s1 |
| InChIKey | VGQMQJJZSGPGOI-QDOJAXCNSA-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 | UWTS2267 |