| SpectraBase Compound ID | EuOEG3u112H |
|---|---|
| InChI | InChI=1S/C52H86O22/c1-46(2)13-14-51-22-68-52(29(51)15-46)12-8-28-47(3)10-9-31(48(4,21-55)27(47)7-11-49(28,5)50(52,6)16-30(51)57)72-44-40(74-43-39(65)36(62)33(59)24(17-53)69-43)35(61)26(20-67-44)71-45-41(37(63)34(60)25(18-54)70-45)73-42-38(64)32(58)23(56)19-66-42/h23-45,53-65H,7-22H2,1-6H3/t23-,24-,25-,26+,27-,28-,29-,30-,31+,32+,33-,34-,35+,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,47+,48-,49-,50+,51-,52+/m1/s1 |
| InChIKey | YBYIAPOSRNODNJ-IQFCDAIXSA-N |
| Mol Weight | 1063.2 g/mol |
| Molecular Formula | C52H86O22 |
| Exact Mass | 1062.561074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LwRZtnzcV46 |
|---|---|
| Name | ANAGALLISIN-C |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H86O22 |
| InChI | InChI=1S/C52H86O22/c1-46(2)13-14-51-22-68-52(29(51)15-46)12-8-28-47(3)10-9-31(48(4,21-55)27(47)7-11-49(28,5)50(52,6)16-30(51)57)72-44-40(74-43-39(65)36(62)33(59)24(17-53)69-43)35(61)26(20-67-44)71-45-41(37(63)34(60)25(18-54)70-45)73-42-38(64)32(58)23(56)19-66-42/h23-45,53-65H,7-22H2,1-6H3/t23-,24-,25-,26+,27-,28-,29-,30-,31+,32+,33-,34-,35+,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,47+,48-,49-,50+,51-,52+/m1/s1 |
| InChIKey | YBYIAPOSRNODNJ-IQFCDAIXSA-N |
| Literature Reference Author | X.XIA,X.WEI,L.LIN |
| Literature Reference Citation | PHARMACOG.J.,5,119(2013) |
| Literature Reference DOI | 10.1016/j.phcgj.2013.05.001 |
| Molecular Weight | 1063.242 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWBT15048 |