| SpectraBase Compound ID | DNelmizKXls |
|---|---|
| InChI | InChI=1S/C91H130Cl4N20O17/c92-69-25-6-1-20-64(69)59-129-88(125)109-40-15-11-29-73(96)83(120)105-49-45-100-79(116)36-54-114(55-37-80(117)101-46-50-106-84(121)74(97)30-12-16-41-110-89(126)130-60-65-21-2-7-26-70(65)93)53-19-34-78(87(124)104-44-35-63-58-113-77-33-10-5-24-68(63)77)115(56-38-81(118)102-47-51-107-85(122)75(98)31-13-17-42-111-90(127)131-61-66-22-3-8-27-71(66)94)57-39-82(119)103-48-52-108-86(123)76(99)32-14-18-43-112-91(128)132-62-67-23-4-9-28-72(67)95/h1-10,20-28,33,58,73-76,78,113H,11-19,29-32,34-57,59-62,96-99H2,(H,100,116)(H,101,117)(H,102,118)(H,103,119)(H,104,124)(H,105,120)(H,106,121)(H,107,122)(H,108,123)(H,109,125)(H,110,126)(H,111,127)(H,112,128)/t73-,74-,75-,76-,78-/m0/s1 |
| InChIKey | ZGFKJQXVXAFTAT-QSKAEJSESA-N |
| Mol Weight | 1918.0 g/mol |
| Molecular Formula | C91H130Cl4N20O17 |
| Exact Mass | 1914.867694 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KjUJDL5H2Wa |
|---|---|
| Name | ZGFKJQXVXAFTAT-QSKAEJSESA-N |
| Compound Number | 3F |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C91H130Cl4N20O17 |
| InChI | InChI=1S/C91H130Cl4N20O17/c92-69-25-6-1-20-64(69)59-129-88(125)109-40-15-11-29-73(96)83(120)105-49-45-100-79(116)36-54-114(55-37-80(117)101-46-50-106-84(121)74(97)30-12-16-41-110-89(126)130-60-65-21-2-7-26-70(65)93)53-19-34-78(87(124)104-44-35-63-58-113-77-33-10-5-24-68(63)77)115(56-38-81(118)102-47-51-107-85(122)75(98)31-13-17-42-111-90(127)131-61-66-22-3-8-27-71(66)94)57-39-82(119)103-48-52-108-86(123)76(99)32-14-18-43-112-91(128)132-62-67-23-4-9-28-72(67)95/h1-10,20-28,33,58,73-76,78,113H,11-19,29-32,34-57,59-62,96-99H2,(H,100,116)(H,101,117)(H,102,118)(H,103,119)(H,104,124)(H,105,120)(H,106,121)(H,107,122)(H,108,123)(H,109,125)(H,110,126)(H,111,127)(H,112,128)/t73-,74-,75-,76-,78-/m0/s1 |
| InChIKey | ZGFKJQXVXAFTAT-QSKAEJSESA-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 | 1917.969 g/mol |
| Solvent | Unknown |
| Source File Reference | UWBT9488 |