| SpectraBase Compound ID | 2QyzzKWHsxN |
|---|---|
| InChI | InChI=1S/C52H88O25/c1-20(19-69-46-41(65)37(61)34(58)29(15-53)71-46)8-11-52(68-5)21(2)33-28(77-52)13-25-23-7-6-22-12-27(26(57)14-51(22,4)24(23)9-10-50(25,33)3)70-47-43(67)40(64)44(32(18-56)74-47)75-49-45(39(63)36(60)31(17-55)73-49)76-48-42(66)38(62)35(59)30(16-54)72-48/h20-49,53-67H,6-19H2,1-5H3/t20-,21+,22+,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 | CKNKYVMVZPUAOQ-YJSXRPFYSA-N |
| Mol Weight | 1113.3 g/mol |
| Molecular Formula | C52H88O25 |
| Exact Mass | 1112.561468 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D1Lz9EOCJBt |
|---|---|
| Name | CAPSICOSIDE-C |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H88O25 |
| InChI | InChI=1S/C52H88O25/c1-20(19-69-46-41(65)37(61)34(58)29(15-53)71-46)8-11-52(68-5)21(2)33-28(77-52)13-25-23-7-6-22-12-27(26(57)14-51(22,4)24(23)9-10-50(25,33)3)70-47-43(67)40(64)44(32(18-56)74-47)75-49-45(39(63)36(60)31(17-55)73-49)76-48-42(66)38(62)35(59)30(16-54)72-48/h20-49,53-67H,6-19H2,1-5H3/t20-,21+,22+,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 | CKNKYVMVZPUAOQ-YJSXRPFYSA-N |
| Literature Reference Author | S.YAHARA,T.URA,C.SAKAMOTO,T.NOHARA |
| Literature Reference Citation | PHYTOCHEM.,37,831(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)90366-2 |
| Molecular Weight | 1113.256 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU23511 |