| SpectraBase Compound ID | BUgTharXEXt |
|---|---|
| InChI | InChI=1S/C52H74N8O25/c1-41(2)65-17-21(74-41)25-49(57-59-53,29-33(69-25)82-45(9,10)78-29)37(61)55-51(27(23-19-67-43(5,6)76-23)71-35-31(51)80-47(13,14)84-35)39(63)73-40(64)52(28(24-20-68-44(7,8)77-24)72-36-32(52)81-48(15,16)85-36)56-38(62)50(58-60-54)26(22-18-66-42(3,4)75-22)70-34-30(50)79-46(11,12)83-34/h21-36H,17-20H2,1-16H3,(H,55,61)(H,56,62)/t21?,22?,23?,24?,25-,26+,27+,28-,29+,30-,31-,32+,33-,34+,35+,36-,49-,50-,51+,52+/m0/s1 |
| InChIKey | VLEWZFGKLCBQGW-WJMLVNRSSA-N |
| Mol Weight | 1211.2 g/mol |
| Molecular Formula | C52H74N8O25 |
| Exact Mass | 1210.47651 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KQrf3CMV0FH |
|---|---|
| Name | VLEWZFGKLCBQGW-WJMLVNRSSA-N |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H74N8O25 |
| InChI | InChI=1S/C52H74N8O25/c1-41(2)65-17-21(74-41)25-49(57-59-53,29-33(69-25)82-45(9,10)78-29)37(61)55-51(27(23-19-67-43(5,6)76-23)71-35-31(51)80-47(13,14)84-35)39(63)73-40(64)52(28(24-20-68-44(7,8)77-24)72-36-32(52)81-48(15,16)85-36)56-38(62)50(58-60-54)26(22-18-66-42(3,4)75-22)70-34-30(50)79-46(11,12)83-34/h21-36H,17-20H2,1-16H3,(H,55,61)(H,56,62)/t21?,22?,23?,24?,25-,26+,27+,28-,29+,30-,31-,32+,33-,34+,35+,36-,49-,50-,51+,52+/m0/s1 |
| InChIKey | VLEWZFGKLCBQGW-WJMLVNRSSA-N |
| Literature Reference Author | A.SCAFFIDI,B.W.SKELTON,R.V.STICK,A.H.WHITE |
| Literature Reference Citation | AUSTR.J.CHEM.,57,733(2004) |
| Literature Reference DOI | 10.1071/CH04014 |
| Molecular Weight | 1211.198 g/mol |
| Solvent | Unknown |
| Source File Reference | UWVN20007 |