| SpectraBase Compound ID | BMwB1XlxcGT |
|---|---|
| InChI | InChI=1S/C86H127Cl4N21O17/c87-65-22-5-1-18-60(65)55-125-83(121)105-36-13-9-26-69(91)78(116)101-45-41-96-74(112)32-50-110(51-33-75(113)97-42-46-102-79(117)70(92)27-10-14-37-106-84(122)126-56-61-19-2-6-23-66(61)88)49-17-30-73(82(120)100-40-31-64-54-95-59-109-64)111(52-34-76(114)98-43-47-103-80(118)71(93)28-11-15-38-107-85(123)127-57-62-20-3-7-24-67(62)89)53-35-77(115)99-44-48-104-81(119)72(94)29-12-16-39-108-86(124)128-58-63-21-4-8-25-68(63)90/h1-8,18-25,54,59,69-73H,9-17,26-53,55-58,91-94H2,(H,95,109)(H,96,112)(H,97,113)(H,98,114)(H,99,115)(H,100,120)(H,101,116)(H,102,117)(H,103,118)(H,104,119)(H,105,121)(H,106,122)(H,107,123)(H,108,124)/t69-,70-,71+,72+,73+/m1/s1 |
| InChIKey | SVHZUFOTVNQECO-CSNKATLFSA-N |
| Mol Weight | 1868.9 g/mol |
| Molecular Formula | C86H127Cl4N21O17 |
| Exact Mass | 1865.847292 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9ay76qsX2E9 |
|---|---|
| Name | SVHZUFOTVNQECO-CSNKATLFSA-N |
| Compound Number | 3G |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C86H127Cl4N21O17 |
| InChI | InChI=1S/C86H127Cl4N21O17/c87-65-22-5-1-18-60(65)55-125-83(121)105-36-13-9-26-69(91)78(116)101-45-41-96-74(112)32-50-110(51-33-75(113)97-42-46-102-79(117)70(92)27-10-14-37-106-84(122)126-56-61-19-2-6-23-66(61)88)49-17-30-73(82(120)100-40-31-64-54-95-59-109-64)111(52-34-76(114)98-43-47-103-80(118)71(93)28-11-15-38-107-85(123)127-57-62-20-3-7-24-67(62)89)53-35-77(115)99-44-48-104-81(119)72(94)29-12-16-39-108-86(124)128-58-63-21-4-8-25-68(63)90/h1-8,18-25,54,59,69-73H,9-17,26-53,55-58,91-94H2,(H,95,109)(H,96,112)(H,97,113)(H,98,114)(H,99,115)(H,100,120)(H,101,116)(H,102,117)(H,103,118)(H,104,119)(H,105,121)(H,106,122)(H,107,123)(H,108,124)/t69-,70-,71+,72+,73+/m1/s1 |
| InChIKey | SVHZUFOTVNQECO-CSNKATLFSA-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 | 1868.897 g/mol |
| Solvent | Unknown |
| Source File Reference | UWBT9489 |