| SpectraBase Compound ID | LUtKqjfK5kl |
|---|---|
| InChI | InChI=1S/C66H97N7O31/c1-52(2)80-22-27(90-52)32-62(37-42(85-32)100-57(11,12)95-37,68-48(75)63(33(28-23-81-53(3,4)91-28)86-43-38(63)96-58(13,14)101-43)70-50(77)65(72-73-67)35(30-25-83-55(7,8)93-30)88-45-40(65)98-60(17,18)103-45)47(74)69-64(34(29-24-82-54(5,6)92-29)87-44-39(64)97-59(15,16)102-44)49(76)71-66(51(78)79-21)36(31-26-84-56(9,10)94-31)89-46-41(66)99-61(19,20)104-46/h27-46H,22-26H2,1-21H3,(H,68,75)(H,69,74)(H,70,77)(H,71,76)/t27?,28?,29?,30?,31?,32-,33-,34-,35+,36-,37+,38+,39+,40-,41+,42-,43-,44-,45+,46-,62+,63+,64+,65-,66+/m0/s1 |
| InChIKey | BYCLKVVTZNFWKS-MDGXYAJHSA-N |
| Mol Weight | 1484.5 g/mol |
| Molecular Formula | C66H97N7O31 |
| Exact Mass | 1483.622899 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gfajtkv1qTq |
|---|---|
| Name | BYCLKVVTZNFWKS-MDGXYAJHSA-N |
| Compound Number | 19 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C66H97N7O31 |
| InChI | InChI=1S/C66H97N7O31/c1-52(2)80-22-27(90-52)32-62(37-42(85-32)100-57(11,12)95-37,68-48(75)63(33(28-23-81-53(3,4)91-28)86-43-38(63)96-58(13,14)101-43)70-50(77)65(72-73-67)35(30-25-83-55(7,8)93-30)88-45-40(65)98-60(17,18)103-45)47(74)69-64(34(29-24-82-54(5,6)92-29)87-44-39(64)97-59(15,16)102-44)49(76)71-66(51(78)79-21)36(31-26-84-56(9,10)94-31)89-46-41(66)99-61(19,20)104-46/h27-46H,22-26H2,1-21H3,(H,68,75)(H,69,74)(H,70,77)(H,71,76)/t27?,28?,29?,30?,31?,32-,33-,34-,35+,36-,37+,38+,39+,40-,41+,42-,43-,44-,45+,46-,62+,63+,64+,65-,66+/m0/s1 |
| InChIKey | BYCLKVVTZNFWKS-MDGXYAJHSA-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 | 1484.524 g/mol |
| Solvent | Unknown |
| Source File Reference | UWVN20014 |