| SpectraBase Compound ID | 1vMSPxfQyhm |
|---|---|
| InChI | InChI=1S/C36H54O21/c1-6-48-21-7-15-17(31(44)46-4)10-51-34(23(15)13(2)52-21)57-36-30(43)28(41)26(39)20(55-36)12-49-22-8-16-18(32(45)47-5)11-50-33(24(16)14(3)53-22)56-35-29(42)27(40)25(38)19(9-37)54-35/h10-11,13-16,19-30,33-43H,6-9,12H2,1-5H3/t13-,14-,15+,16+,19-,20+,21+,22+,23+,24+,25-,26+,27+,28-,29-,30+,33-,34-,35+,36-/m0/s1 |
| InChIKey | LKXCZHYUJQHWDT-MBMLKFHJSA-N |
| Mol Weight | 822.8 g/mol |
| Molecular Formula | C36H54O21 |
| Exact Mass | 822.315759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ELWwQjouVeL |
|---|---|
| Name | WILLIAMSOSIDE-D;7-BETA-O-ETHYL-MORRONISIDE-(6'-O-7'')-BETA-MORRONISIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H54O21 |
| InChI | InChI=1S/C36H54O21/c1-6-48-21-7-15-17(31(44)46-4)10-51-34(23(15)13(2)52-21)57-36-30(43)28(41)26(39)20(55-36)12-49-22-8-16-18(32(45)47-5)11-50-33(24(16)14(3)53-22)56-35-29(42)27(40)25(38)19(9-37)54-35/h10-11,13-16,19-30,33-43H,6-9,12H2,1-5H3/t13-,14-,15+,16+,19-,20+,21+,22+,23+,24+,25-,26+,27+,28-,29-,30+,33-,34-,35+,36-/m0/s1 |
| InChIKey | LKXCZHYUJQHWDT-MBMLKFHJSA-N |
| Literature Reference Author | H.X.KUANG,H.HAN,B.Y.YANG,L.YANG,H.JIANG,Q.H.WANG |
| Literature Reference Citation | MOLECULES,17,1830(2012) |
| Literature Reference DOI | 10.3390/molecules17021830 |
| Molecular Weight | 822.812 g/mol |
| Sample ID | 73133 |
| Solvent | CD3OD |