| SpectraBase Compound ID | AqN1ODRYnVp |
|---|---|
| InChI | InChI=1S/C53H80N4O25/c1-42(2)63-18-22(71-42)26-50(54,30-34(67-26)79-46(9,10)75-30)38(58)55-51(27(23-19-64-43(3,4)72-23)68-35-31(51)76-47(11,12)80-35)39(59)56-52(28(24-20-65-44(5,6)73-24)69-36-32(52)77-48(13,14)81-36)40(60)57-53(41(61)62-17)29(25-21-66-45(7,8)74-25)70-37-33(53)78-49(15,16)82-37/h22-37H,18-21,54H2,1-17H3,(H,55,58)(H,56,59)(H,57,60)/t22?,23?,24?,25?,26-,27-,28-,29-,30+,31+,32+,33+,34-,35-,36-,37-,50+,51+,52+,53+/m1/s1 |
| InChIKey | SGKIVEOQIFSRTQ-RSUISARUSA-N |
| Mol Weight | 1173.2 g/mol |
| Molecular Formula | C53H80N4O25 |
| Exact Mass | 1172.511164 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 12iLOnKiVXb |
|---|---|
| Name | SGKIVEOQIFSRTQ-RSUISARUSA-N |
| Compound Number | 22 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H80N4O25 |
| InChI | InChI=1S/C53H80N4O25/c1-42(2)63-18-22(71-42)26-50(54,30-34(67-26)79-46(9,10)75-30)38(58)55-51(27(23-19-64-43(3,4)72-23)68-35-31(51)76-47(11,12)80-35)39(59)56-52(28(24-20-65-44(5,6)73-24)69-36-32(52)77-48(13,14)81-36)40(60)57-53(41(61)62-17)29(25-21-66-45(7,8)74-25)70-37-33(53)78-49(15,16)82-37/h22-37H,18-21,54H2,1-17H3,(H,55,58)(H,56,59)(H,57,60)/t22?,23?,24?,25?,26-,27-,28-,29-,30+,31+,32+,33+,34-,35-,36-,37-,50+,51+,52+,53+/m1/s1 |
| InChIKey | SGKIVEOQIFSRTQ-RSUISARUSA-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 | 1173.230 g/mol |
| Solvent | Unknown |
| Source File Reference | UWVN20016 |