| SpectraBase Compound ID | LkgfgRTQg0x |
|---|---|
| InChI | InChI=1S/C41H54O22/c1-18-34(62-40-32(51)31(50)30(49)27(16-42)59-40)37(57-19(2)44)38(58-20(3)45)41(56-18)63-36-33(52)39(55-13-12-22-7-10-25(53-4)24(47)14-22)60-28(17-43)35(36)61-29(48)11-8-21-6-9-23(46)26(15-21)54-5/h6-11,14-15,18,27-28,30-43,46-47,49-52H,12-13,16-17H2,1-5H3/b11-8+/t18-,27+,28-,30+,31-,32+,33-,34-,35-,36-,37+,38+,39-,40-,41-/m0/s1 |
| InChIKey | LLFDQCBULHRKSQ-YPKYBGBESA-N |
| Mol Weight | 898.9 g/mol |
| Molecular Formula | C41H54O22 |
| Exact Mass | 898.310673 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3EyOwJhvFAa |
|---|---|
| Name | PREMNETHANOSIDE-A |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H54O22 |
| InChI | InChI=1S/C41H54O22/c1-18-34(62-40-32(51)31(50)30(49)27(16-42)59-40)37(57-19(2)44)38(58-20(3)45)41(56-18)63-36-33(52)39(55-13-12-22-7-10-25(53-4)24(47)14-22)60-28(17-43)35(36)61-29(48)11-8-21-6-9-23(46)26(15-21)54-5/h6-11,14-15,18,27-28,30-43,46-47,49-52H,12-13,16-17H2,1-5H3/b11-8+/t18-,27+,28-,30+,31-,32+,33-,34-,35-,36-,37+,38+,39-,40-,41-/m0/s1 |
| InChIKey | LLFDQCBULHRKSQ-YPKYBGBESA-N |
| Literature Reference Author | H.SUDO,A.TAKUSHI,T.IDE,H.OTSUKA,E.HIRATA,Y.TAKEDA |
| Literature Reference Citation | PHYTOCHEM.,46,1147(1997) |
| Literature Reference DOI | 10.1016/s0031-9422(97)00231-8 |
| Molecular Weight | 898.867 g/mol |
| Sample ID | 65342 |
| Solvent | CD3OD |