| SpectraBase Compound ID | BeFXYP15tuO |
|---|---|
| InChI | InChI=1S/C86H124Cl4N20O17/c87-65-24-5-1-19-60(65)56-124-83(120)104-38-13-9-28-69(91)78(115)100-46-42-96-74(111)33-51-109(52-34-75(112)97-43-47-101-79(116)70(92)29-10-14-39-105-84(121)125-57-61-20-2-6-25-66(61)88)50-18-32-73(82(119)108-64-23-17-37-95-55-64)110(53-35-76(113)98-44-48-102-80(117)71(93)30-11-15-40-106-85(122)126-58-62-21-3-7-26-67(62)89)54-36-77(114)99-45-49-103-81(118)72(94)31-12-16-41-107-86(123)127-59-63-22-4-8-27-68(63)90/h1-8,17,19-27,37,55,69-73H,9-16,18,28-36,38-54,56-59,91-94H2,(H,96,111)(H,97,112)(H,98,113)(H,99,114)(H,100,115)(H,101,116)(H,102,117)(H,103,118)(H,104,120)(H,105,121)(H,106,122)(H,107,123)(H,108,119)/t69-,70-,71+,72+,73?/m1/s1 |
| InChIKey | PJVDSCYUZPGNFI-PJICLMFTSA-N |
| Mol Weight | 1851.9 g/mol |
| Molecular Formula | C86H124Cl4N20O17 |
| Exact Mass | 1848.820743 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GlEoMMbZg9P |
|---|---|
| Name | PJVDSCYUZPGNFI-PJICLMFTSA-N |
| Compound Number | 3E |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C86H124Cl4N20O17 |
| InChI | InChI=1S/C86H124Cl4N20O17/c87-65-24-5-1-19-60(65)56-124-83(120)104-38-13-9-28-69(91)78(115)100-46-42-96-74(111)33-51-109(52-34-75(112)97-43-47-101-79(116)70(92)29-10-14-39-105-84(121)125-57-61-20-2-6-25-66(61)88)50-18-32-73(82(119)108-64-23-17-37-95-55-64)110(53-35-76(113)98-44-48-102-80(117)71(93)30-11-15-40-106-85(122)126-58-62-21-3-7-26-67(62)89)54-36-77(114)99-45-49-103-81(118)72(94)31-12-16-41-107-86(123)127-59-63-22-4-8-27-68(63)90/h1-8,17,19-27,37,55,69-73H,9-16,18,28-36,38-54,56-59,91-94H2,(H,96,111)(H,97,112)(H,98,113)(H,99,114)(H,100,115)(H,101,116)(H,102,117)(H,103,118)(H,104,120)(H,105,121)(H,106,122)(H,107,123)(H,108,119)/t69-,70-,71+,72+,73?/m1/s1 |
| InChIKey | PJVDSCYUZPGNFI-PJICLMFTSA-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 | 1851.866 g/mol |
| Solvent | Unknown |
| Source File Reference | UWBT9487 |