| SpectraBase Compound ID | 1Qaqw7ItDUX |
|---|---|
| InChI | InChI=1S/C67H71N5O19/c1-76-61(75)67(55(82-37-43-27-15-7-16-28-43)52-49(88-64(67)79-4)40-85-58(91-52)46-33-21-10-22-34-46)70-59(73)65(53(80-35-41-23-11-5-12-24-41)50-47(86-62(65)77-2)38-83-56(89-50)44-29-17-8-18-30-44)69-60(74)66(71-72-68)54(81-36-42-25-13-6-14-26-42)51-48(87-63(66)78-3)39-84-57(90-51)45-31-19-9-20-32-45/h5-34,47-58,62-64H,35-40H2,1-4H3,(H,69,74)(H,70,73)/t47-,48+,49-,50-,51+,52-,53+,54-,55+,56-,57+,58-,62+,63-,64+,65-,66+,67-/m0/s1 |
| InChIKey | KVRYXXXTCLLNTB-AUIHEZMASA-N |
| Mol Weight | 1250.3 g/mol |
| Molecular Formula | C67H71N5O19 |
| Exact Mass | 1249.474325 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1g6kdTJVB0X |
|---|---|
| Name | KVRYXXXTCLLNTB-AUIHEZMASA-N |
| Compound Number | 16 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C67H71N5O19 |
| InChI | InChI=1S/C67H71N5O19/c1-76-61(75)67(55(82-37-43-27-15-7-16-28-43)52-49(88-64(67)79-4)40-85-58(91-52)46-33-21-10-22-34-46)70-59(73)65(53(80-35-41-23-11-5-12-24-41)50-47(86-62(65)77-2)38-83-56(89-50)44-29-17-8-18-30-44)69-60(74)66(71-72-68)54(81-36-42-25-13-6-14-26-42)51-48(87-63(66)78-3)39-84-57(90-51)45-31-19-9-20-32-45/h5-34,47-58,62-64H,35-40H2,1-4H3,(H,69,74)(H,70,73)/t47-,48+,49-,50-,51+,52-,53+,54-,55+,56-,57+,58-,62+,63-,64+,65-,66+,67-/m0/s1 |
| InChIKey | KVRYXXXTCLLNTB-AUIHEZMASA-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 | 1250.323 g/mol |
| Solvent | Unknown |
| Source File Reference | UWVN20011 |