| SpectraBase Compound ID | 1Bl89Jlcbrt |
|---|---|
| InChI | InChI=1S/C86H124Cl4N20O17/c87-65-24-5-1-19-60(65)56-124-83(120)105-69(28-9-13-37-91)78(115)100-46-42-96-74(111)33-51-109(52-34-75(112)97-43-47-101-79(116)70(29-10-14-38-92)106-84(121)125-57-61-20-2-6-25-66(61)88)50-18-32-73(82(119)104-64-23-17-41-95-55-64)110(53-35-76(113)98-44-48-102-80(117)71(30-11-15-39-93)107-85(122)126-58-62-21-3-7-26-67(62)89)54-36-77(114)99-45-49-103-81(118)72(31-12-16-40-94)108-86(123)127-59-63-22-4-8-27-68(63)90/h1-8,17,19-27,41,55,69-73H,9-16,18,28-40,42-54,56-59,91-94H2,(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,104,119)(H,105,120)(H,106,121)(H,107,122)(H,108,123)/t69-,70-,71+,72+,73-/m0/s1 |
| InChIKey | VPYVXATXNSYKRD-DSYXKYMNSA-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 | JCbrKCUkbKB |
|---|---|
| Name | VPYVXATXNSYKRD-DSYXKYMNSA-N |
| Compound Number | 3A |
| 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)105-69(28-9-13-37-91)78(115)100-46-42-96-74(111)33-51-109(52-34-75(112)97-43-47-101-79(116)70(29-10-14-38-92)106-84(121)125-57-61-20-2-6-25-66(61)88)50-18-32-73(82(119)104-64-23-17-41-95-55-64)110(53-35-76(113)98-44-48-102-80(117)71(30-11-15-39-93)107-85(122)126-58-62-21-3-7-26-67(62)89)54-36-77(114)99-45-49-103-81(118)72(31-12-16-40-94)108-86(123)127-59-63-22-4-8-27-68(63)90/h1-8,17,19-27,41,55,69-73H,9-16,18,28-40,42-54,56-59,91-94H2,(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,104,119)(H,105,120)(H,106,121)(H,107,122)(H,108,123)/t69-,70-,71+,72+,73-/m0/s1 |
| InChIKey | VPYVXATXNSYKRD-DSYXKYMNSA-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 | UWBT9483 |