| SpectraBase Compound ID | 1t0N1WG2lsu |
|---|---|
| InChI | InChI=1S/C93H145Cl4N19O17/c1-2-3-4-5-6-7-8-9-10-23-46-106-89(125)80(116(62-44-83(119)104-53-57-109-87(123)78(100)39-21-26-49-113-92(128)132-66-70-31-13-17-35-74(70)96)63-45-84(120)105-54-58-110-88(124)79(101)40-22-27-50-114-93(129)133-67-71-32-14-18-36-75(71)97)41-28-59-115(60-42-81(117)102-51-55-107-85(121)76(98)37-19-24-47-111-90(126)130-64-68-29-11-15-33-72(68)94)61-43-82(118)103-52-56-108-86(122)77(99)38-20-25-48-112-91(127)131-65-69-30-12-16-34-73(69)95/h11-18,29-36,76-80H,2-10,19-28,37-67,98-101H2,1H3,(H,102,117)(H,103,118)(H,104,119)(H,105,120)(H,106,125)(H,107,121)(H,108,122)(H,109,123)(H,110,124)(H,111,126)(H,112,127)(H,113,128)(H,114,129)/t76-,77-,78+,79+,80+/m1/s1 |
| InChIKey | NNBBTJCKXFTGCV-LMAVCOIPSA-N |
| Mol Weight | 1943.1 g/mol |
| Molecular Formula | C93H145Cl4N19O17 |
| Exact Mass | 1939.981995 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DvWtS4wFNGT |
|---|---|
| Name | NNBBTJCKXFTGCV-LMAVCOIPSA-N |
| Compound Number | 3H |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C93H145Cl4N19O17 |
| InChI | InChI=1S/C93H145Cl4N19O17/c1-2-3-4-5-6-7-8-9-10-23-46-106-89(125)80(116(62-44-83(119)104-53-57-109-87(123)78(100)39-21-26-49-113-92(128)132-66-70-31-13-17-35-74(70)96)63-45-84(120)105-54-58-110-88(124)79(101)40-22-27-50-114-93(129)133-67-71-32-14-18-36-75(71)97)41-28-59-115(60-42-81(117)102-51-55-107-85(121)76(98)37-19-24-47-111-90(126)130-64-68-29-11-15-33-72(68)94)61-43-82(118)103-52-56-108-86(122)77(99)38-20-25-48-112-91(127)131-65-69-30-12-16-34-73(69)95/h11-18,29-36,76-80H,2-10,19-28,37-67,98-101H2,1H3,(H,102,117)(H,103,118)(H,104,119)(H,105,120)(H,106,125)(H,107,121)(H,108,122)(H,109,123)(H,110,124)(H,111,126)(H,112,127)(H,113,128)(H,114,129)/t76-,77-,78+,79+,80+/m1/s1 |
| InChIKey | NNBBTJCKXFTGCV-LMAVCOIPSA-N |
| Literature Reference Author | P.POLCYN,P.IELINSKA,M.ZIMNICKA,A.TROC,P.KALICKI,J.SOLECKA,A. LASKOWSKA |
| Literature Reference Citation | MOLECULES,18,7120(2013) |
| Literature Reference DOI | 10.3390/molecules18067120 |
| Molecular Weight | 1943.103 g/mol |
| Solvent | Unknown |
| Source File Reference | UWBT9490 |