| SpectraBase Compound ID | LZqREaBMuMF |
|---|---|
| InChI | InChI=1S/C45H73NO16/c1-19-8-13-45(46-16-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(54)34(52)31(49)21(3)56-40)38(33(51)29(18-48)59-42)60-41-37(55)35(53)32(50)28(17-47)58-41/h6,19-21,23-42,46-55H,7-18H2,1-5H3/t19-,20-,21+,23-,24+,25-,26-,27-,28+,29+,30-,31+,32+,33-,34-,35-,36-,37+,38-,39+,40+,41-,42+,43-,44-,45+/m0/s1 |
| InChIKey | QCTMYNGDIBTNSK-JZZOOTJVSA-N |
| Mol Weight | 884.1 g/mol |
| Molecular Formula | C45H73NO16 |
| Exact Mass | 883.492935 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6FJxEvKBUMU |
|---|---|
| Name | SOLASONINE;(25R)-3-BETA-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[O-BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-GALACTOPYRANOSYLOXY]-22-ALPHA-N-SPIROSOL-5-ENE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H73NO16 |
| InChI | InChI=1S/C45H73NO16/c1-19-8-13-45(46-16-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(54)34(52)31(49)21(3)56-40)38(33(51)29(18-48)59-42)60-41-37(55)35(53)32(50)28(17-47)58-41/h6,19-21,23-42,46-55H,7-18H2,1-5H3/t19-,20-,21+,23-,24+,25-,26-,27-,28+,29+,30-,31+,32+,33-,34-,35-,36-,37+,38-,39+,40+,41-,42+,43-,44-,45+/m0/s1 |
| InChIKey | QCTMYNGDIBTNSK-JZZOOTJVSA-N |
| Literature Reference Author | A.USUBILLAGA,I.AZIZ,M.C.TETTAMANZI,R.WAIBEL,H.ACHENBACH |
| Literature Reference Citation | PHYTOCHEM.,44,537(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00586-9 |
| Molecular Weight | 884.072 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWPA169 |