| SpectraBase Compound ID | 81G2dXcy30L |
|---|---|
| InChI | InChI=1S/C50H82O22/c1-20-7-12-50(64-18-20)21(2)32-28(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)65-45-40(62)37(59)41(31(17-53)68-45)69-47-43(71-46-39(61)36(58)34(56)29(15-51)66-46)42(35(57)30(16-52)67-47)70-44-38(60)33(55)27(54)19-63-44/h20-47,51-62H,5-19H2,1-4H3/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+/m0/s1 |
| InChIKey | BJNQXJIQCPPOHN-NKJQGIPISA-N |
| Mol Weight | 1035.2 g/mol |
| Molecular Formula | C50H82O22 |
| Exact Mass | 1034.529774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LcgABYERMRK |
|---|---|
| Name | (25R)-DEGALACTOTIGONIN |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H82O22 |
| InChI | InChI=1S/C50H82O22/c1-20-7-12-50(64-18-20)21(2)32-28(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)65-45-40(62)37(59)41(31(17-53)68-45)69-47-43(71-46-39(61)36(58)34(56)29(15-51)66-46)42(35(57)30(16-52)67-47)70-44-38(60)33(55)27(54)19-63-44/h20-47,51-62H,5-19H2,1-4H3/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+/m0/s1 |
| InChIKey | BJNQXJIQCPPOHN-NKJQGIPISA-N |
| Literature Reference Author | B.MA,B.WANG,J.DONG,X.YAN,H.ZHANG,A.TU |
| Literature Reference Citation | PLANTA.MED.,63,376(1997) |
| Literature Reference DOI | 10.1055/s-2006-957710 |
| Molecular Weight | 1035.188 g/mol |
| Solvent | C5D5N |
| Source File Reference | UIAP983 |