| SpectraBase Compound ID | JuPQv1nXyk1 |
|---|---|
| InChI | InChI=1S/C63H108N2O41/c1-6-90-31(74)13-11-9-7-8-10-12-14-91-58-46(87)42(83)49(28(18-69)99-58)100-62-47(88)54(37(78)26(16-67)95-62)105-57-33(65-24(5)73)53(104-60-44(85)40(81)35(76)22(3)93-60)51(30(20-71)98-57)102-63-48(89)55(38(79)27(17-68)96-63)106-56-32(64-23(4)72)52(103-59-43(84)39(80)34(75)21(2)92-59)50(29(19-70)97-56)101-61-45(86)41(82)36(77)25(15-66)94-61/h21-22,25-30,32-63,66-71,75-89H,6-20H2,1-5H3,(H,64,72)(H,65,73)/t21-,22-,25-,26-,27+,28+,29+,30-,32+,33-,34+,35+,36+,37+,38-,39+,40+,41+,42+,43-,44-,45-,46+,47-,48+,49+,50+,51-,52+,53-,54+,55-,56-,57+,58+,59-,60-,61+,62+,63-/m0/s1 |
| InChIKey | UKBLVKSHBHHQDK-PBQNNMIUSA-N |
| Mol Weight | 1549.5 g/mol |
| Molecular Formula | C63H108N2O41 |
| Exact Mass | 1548.642751 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hr8BEn8MXuL |
|---|---|
| Name | UKBLVKSHBHHQDK-PBQNNMIUSA-N |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C63H108N2O41 |
| InChI | InChI=1S/C63H108N2O41/c1-6-90-31(74)13-11-9-7-8-10-12-14-91-58-46(87)42(83)49(28(18-69)99-58)100-62-47(88)54(37(78)26(16-67)95-62)105-57-33(65-24(5)73)53(104-60-44(85)40(81)35(76)22(3)93-60)51(30(20-71)98-57)102-63-48(89)55(38(79)27(17-68)96-63)106-56-32(64-23(4)72)52(103-59-43(84)39(80)34(75)21(2)92-59)50(29(19-70)97-56)101-61-45(86)41(82)36(77)25(15-66)94-61/h21-22,25-30,32-63,66-71,75-89H,6-20H2,1-5H3,(H,64,72)(H,65,73)/t21-,22-,25-,26-,27+,28+,29+,30-,32+,33-,34+,35+,36+,37+,38-,39+,40+,41+,42+,43-,44-,45-,46+,47-,48+,49+,50+,51-,52+,53-,54+,55-,56-,57+,58+,59-,60-,61+,62+,63-/m0/s1 |
| InChIKey | UKBLVKSHBHHQDK-PBQNNMIUSA-N |
| Literature Reference Author | K.G.R.PACHLER |
| Literature Reference Citation | MAGN.RES.CHEM.,34,711(1996) |
| Literature Reference DOI | 10.1002/(sici)1097-458x(199609)34:9<711::aid-omr944>3.0.co;2-p |
| Molecular Weight | 1549.539 g/mol |
| Solvent | D2O |
| Source File Reference | UWCP2261 |