| SpectraBase Compound ID | LBW0abloTXX |
|---|---|
| InChI | InChI=1S/C49H48O20/c1-62-36-24-31(8-19-35(36)53)12-22-40(55)63-25-37-43(58)45(60)46(61)48(66-37)69-49(27-65-41(56)21-10-29-4-15-33(51)16-5-29)47(67-42(57)23-11-30-6-17-34(52)18-7-30)44(59)38(68-49)26-64-39(54)20-9-28-2-13-32(50)14-3-28/h2-24,37-38,43-48,50-53,58-61H,25-27H2,1H3/b20-9+,21-10+,22-12+,23-11+/t37-,38-,43-,44-,45+,46-,47+,48-,49+/m1/s1 |
| InChIKey | ALSDWGAQQGXOHC-PWYSLETCSA-N |
| Mol Weight | 956.9 g/mol |
| Molecular Formula | C49H48O20 |
| Exact Mass | 956.273894 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 | GTR9Lyf1D8p |
|---|---|
| Name | VANICOSIDE-B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H48O20 |
| InChI | InChI=1S/C49H48O20/c1-62-36-24-31(8-19-35(36)53)12-22-40(55)63-25-37-43(58)45(60)46(61)48(66-37)69-49(27-65-41(56)21-10-29-4-15-33(51)16-5-29)47(67-42(57)23-11-30-6-17-34(52)18-7-30)44(59)38(68-49)26-64-39(54)20-9-28-2-13-32(50)14-3-28/h2-24,37-38,43-48,50-53,58-61H,25-27H2,1H3/b20-9+,21-10+,22-12+,23-11+/t37-,38-,43-,44-,45+,46-,47+,48-,49+/m1/s1 |
| InChIKey | ALSDWGAQQGXOHC-PWYSLETCSA-N |
| Literature Reference Author | M.L.ZIMMERMANN,A.T.SNEDEN |
| Literature Reference Citation | J.NAT.PROD.,57,236(1994) |
| Literature Reference DOI | 10.1021/np50104a007 |
| Molecular Weight | 956.908 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWTS2521 |