| SpectraBase Compound ID | 3QW4pTCLOLg |
|---|---|
| InChI | InChI=1S/C48H76O19/c1-43(2)14-16-48(42(60)61)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)64-41-37(31(54)30(53)36(66-41)38(58)59)67-40-34(57)32(55)35(24(20-50)63-40)65-39-33(56)29(52)28(51)23(19-49)62-39/h8,22-37,39-41,49-57H,9-20H2,1-7H3,(H,58,59)(H,60,61)/t22?,23-,24+,25?,26?,27-,28-,29+,30-,31-,32+,33-,34+,35+,36-,37+,39+,40-,41+,45-,46+,47+,48-/m0/s1 |
| InChIKey | URMBCWWLJRCKKA-AXDGGANBSA-N |
| Mol Weight | 957.1 g/mol |
| Molecular Formula | C48H76O19 |
| Exact Mass | 956.49808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J9G3Hk1B0j3 |
|---|---|
| Name | POLYSCIAPONIN-P2;3-O-[BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL]-OLEANOLIC-ACID |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H76O19 |
| InChI | InChI=1S/C48H76O19/c1-43(2)14-16-48(42(60)61)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)64-41-37(31(54)30(53)36(66-41)38(58)59)67-40-34(57)32(55)35(24(20-50)63-40)65-39-33(56)29(52)28(51)23(19-49)62-39/h8,22-37,39-41,49-57H,9-20H2,1-7H3,(H,58,59)(H,60,61)/t22?,23-,24+,25?,26?,27-,28-,29+,30-,31-,32+,33-,34+,35+,36-,37+,39+,40-,41+,45-,46+,47+,48-/m0/s1 |
| InChIKey | URMBCWWLJRCKKA-AXDGGANBSA-N |
| Literature Reference Author | S.PAPHASSARANG,J.RAYNAUD,M.LUSSIGNOL,P.CABALION |
| Literature Reference Citation | J.NAT.PROD.,53,163(1990) |
| Literature Reference DOI | 10.1021/np50067a023 |
| Molecular Weight | 957.120 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWED16998 |