| SpectraBase Compound ID | Bj8ZrlGaPV4 |
|---|---|
| InChI | InChI=1S/C66H112N6O29/c1-34(37-5-6-38-52-39(30-44(75)66(37,38)3)65(2)15-8-36(73)28-35(65)29-40(52)74)4-7-45(76)67-16-25-96-62-59(93)56(90)53(87)41(99-62)31-70(19-9-46(77)68-17-26-97-63-60(94)57(91)54(88)42(100-63)32-71(21-11-48(79)80)22-12-49(81)82)20-10-47(78)69-18-27-98-64-61(95)58(92)55(89)43(101-64)33-72(23-13-50(83)84)24-14-51(85)86/h34-44,52-64,73-75,87-95H,4-33H2,1-3H3,(H,67,76)(H,68,77)(H,69,78)(H,79,80)(H,81,82)(H,83,84)(H,85,86)/t34-,35+,36-,37-,38+,39+,40-,41+,42-,43-,44+,52+,53+,54-,55-,56-,57+,58+,59+,60-,61-,62+,63-,64-,65+,66-/m1/s1 |
| InChIKey | WBBQIRHMDDLCHH-QOKIAHHMSA-N |
| Mol Weight | 1453.6 g/mol |
| Molecular Formula | C66H112N6O29 |
| Exact Mass | 1452.747372 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BDPLzidAibb |
|---|---|
| Name | WBBQIRHMDDLCHH-QOKIAHHMSA-N |
| Compound Number | 21 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C66H112N6O29 |
| InChI | InChI=1S/C66H112N6O29/c1-34(37-5-6-38-52-39(30-44(75)66(37,38)3)65(2)15-8-36(73)28-35(65)29-40(52)74)4-7-45(76)67-16-25-96-62-59(93)56(90)53(87)41(99-62)31-70(19-9-46(77)68-17-26-97-63-60(94)57(91)54(88)42(100-63)32-71(21-11-48(79)80)22-12-49(81)82)20-10-47(78)69-18-27-98-64-61(95)58(92)55(89)43(101-64)33-72(23-13-50(83)84)24-14-51(85)86/h34-44,52-64,73-75,87-95H,4-33H2,1-3H3,(H,67,76)(H,68,77)(H,69,78)(H,79,80)(H,81,82)(H,83,84)(H,85,86)/t34-,35+,36-,37-,38+,39+,40-,41+,42-,43-,44+,52+,53+,54-,55-,56-,57+,58+,59+,60-,61-,62+,63-,64-,65+,66-/m1/s1 |
| InChIKey | WBBQIRHMDDLCHH-QOKIAHHMSA-N |
| Literature Reference Author | M.DUBBER,A.PATEL,K.SADALAPURE,I.AUMUELLER,T.K.LINDHORST |
| Literature Reference Citation | EUR.J.ORG.CHEM.,5357(2006) |
| Molecular Weight | 1453.638 g/mol |
| Sample ID | 44687 |
| Solvent | D2O |