| SpectraBase Compound ID | 8lBarqTn0dR |
|---|---|
| InChI | InChI=1S/C52H85NO23/c1-20-12-33(68-22(3)57)52(53-15-20)21(2)34-29(76-52)14-27-25-7-6-23-13-24(8-10-50(23,4)26(25)9-11-51(27,34)5)69-47-42(66)39(63)43(32(18-56)72-47)73-49-45(75-48-41(65)38(62)36(60)30(16-54)70-48)44(37(61)31(17-55)71-49)74-46-40(64)35(59)28(58)19-67-46/h20-21,23-49,53-56,58-66H,6-19H2,1-5H3/t20-,21+,23+,24+,25?,26?,27?,28-,29?,30+,31+,32-,33+,34?,35+,36+,37+,38-,39-,40-,41+,42-,43+,44-,45+,46+,47-,48-,49-,50+,51+,52?/m1/s1 |
| InChIKey | POWISKNFFRUCCW-MLNKDRCBSA-N |
| Mol Weight | 1092.2 g/mol |
| Molecular Formula | C52H85NO23 |
| Exact Mass | 1091.551238 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 66lWx0lYJBS |
|---|---|
| Name | LYCOPEROSIDE-A;(23R)-3-O-BETA-LYCOTETRAOSIDE-23-ACETOXY-TOMATIDINE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H85NO23 |
| InChI | InChI=1S/C52H85NO23/c1-20-12-33(68-22(3)57)52(53-15-20)21(2)34-29(76-52)14-27-25-7-6-23-13-24(8-10-50(23,4)26(25)9-11-51(27,34)5)69-47-42(66)39(63)43(32(18-56)72-47)73-49-45(75-48-41(65)38(62)36(60)30(16-54)70-48)44(37(61)31(17-55)71-49)74-46-40(64)35(59)28(58)19-67-46/h20-21,23-49,53-56,58-66H,6-19H2,1-5H3/t20-,21+,23+,24+,25?,26?,27?,28-,29?,30+,31+,32-,33+,34?,35+,36+,37+,38-,39-,40-,41+,42-,43+,44-,45+,46+,47-,48-,49-,50+,51+,52?/m1/s1 |
| InChIKey | POWISKNFFRUCCW-MLNKDRCBSA-N |
| Literature Reference Author | S.YAHARA,N.UDA,T.NOHARA |
| Literature Reference Citation | PHYTOCHEM.,42,169(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00854-3 |
| Molecular Weight | 1092.240 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU3255 |