| SpectraBase Compound ID | FPtPD9GkMOD |
|---|---|
| InChI | InChI=1S/C53H86O23/c1-22-31(58)41(75-44-36(63)32(59)26(57)19-69-44)39(66)46(71-22)74-40-27(18-54)72-43(38(65)35(40)62)70-20-28-33(60)34(61)37(64)45(73-28)76-47(68)53-14-12-48(2,3)16-24(53)23-8-9-30-49(4)17-25(56)42(67)50(5,21-55)29(49)10-11-52(30,7)51(23,6)13-15-53/h8,22,24-46,54-67H,9-21H2,1-7H3/t22-,24+,25-,26+,27-,28-,29-,30-,31-,32-,33-,34+,35-,36+,37-,38-,39+,40-,41+,42+,43-,44-,45+,46-,49+,50+,51-,52-,53+/m1/s1 |
| InChIKey | NQIFYXJFYAOKHM-IVJJVNSQSA-N |
| Mol Weight | 1091.2 g/mol |
| Molecular Formula | C53H86O23 |
| Exact Mass | 1090.555989 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FyIs7PjGFFP |
|---|---|
| Name | NQIFYXJFYAOKHM-IVJJVNSQSA-N |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H86O23 |
| InChI | InChI=1S/C53H86O23/c1-22-31(58)41(75-44-36(63)32(59)26(57)19-69-44)39(66)46(71-22)74-40-27(18-54)72-43(38(65)35(40)62)70-20-28-33(60)34(61)37(64)45(73-28)76-47(68)53-14-12-48(2,3)16-24(53)23-8-9-30-49(4)17-25(56)42(67)50(5,21-55)29(49)10-11-52(30,7)51(23,6)13-15-53/h8,22,24-46,54-67H,9-21H2,1-7H3/t22-,24+,25-,26+,27-,28-,29-,30-,31-,32-,33-,34+,35-,36+,37-,38-,39+,40-,41+,42+,43-,44-,45+,46-,49+,50+,51-,52-,53+/m1/s1 |
| InChIKey | NQIFYXJFYAOKHM-IVJJVNSQSA-N |
| Literature Reference Author | H.GAO,Z.WANG |
| Literature Reference Citation | PHYTOCHEM.,67,2697(2006) |
| Literature Reference DOI | 10.1016/j.phytochem.2006.09.003 |
| Molecular Weight | 1091.252 g/mol |
| Sample ID | 67200 |
| Solvent | C5D5N |