| SpectraBase Compound ID | 2rw8KXafuNR |
|---|---|
| InChI | InChI=1S/C73H110N10O13/c1-70(2,3)93-66(89)78-58(48-53-30-17-13-18-31-53)62(85)74-39-26-44-82(45-27-40-75-63(86)59(49-54-32-19-14-20-33-54)79-67(90)94-71(4,5)6)43-25-38-57(52-84)83(46-28-41-76-64(87)60(50-55-34-21-15-22-35-55)80-68(91)95-72(7,8)9)47-29-42-77-65(88)61(51-56-36-23-16-24-37-56)81-69(92)96-73(10,11)12/h13-24,30-37,57-61,84H,25-29,38-52H2,1-12H3,(H,74,85)(H,75,86)(H,76,87)(H,77,88)(H,78,89)(H,79,90)(H,80,91)(H,81,92)/t57-,58?,59?,60?,61?/m0/s1 |
| InChIKey | FHQAUDFNXRAUKN-JXTTYWRWSA-N |
| Mol Weight | 1335.7 g/mol |
| Molecular Formula | C73H110N10O13 |
| Exact Mass | 1334.825384 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Mj3HPy323X |
|---|---|
| Name | N,N',N,N'-TETRAKIS-(BOC-L-PHENYLALANYL-3-AMINOPROPYL)-L-ALPHA,DELTA-DIAMINOPENTANOL |
| Compound Number | 9C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C73H110N10O13 |
| InChI | InChI=1S/C73H110N10O13/c1-70(2,3)93-66(89)78-58(48-53-30-17-13-18-31-53)62(85)74-39-26-44-82(45-27-40-75-63(86)59(49-54-32-19-14-20-33-54)79-67(90)94-71(4,5)6)43-25-38-57(52-84)83(46-28-41-76-64(87)60(50-55-34-21-15-22-35-55)80-68(91)95-72(7,8)9)47-29-42-77-65(88)61(51-56-36-23-16-24-37-56)81-69(92)96-73(10,11)12/h13-24,30-37,57-61,84H,25-29,38-52H2,1-12H3,(H,74,85)(H,75,86)(H,76,87)(H,77,88)(H,78,89)(H,79,90)(H,80,91)(H,81,92)/t57-,58?,59?,60?,61?/m0/s1 |
| InChIKey | FHQAUDFNXRAUKN-JXTTYWRWSA-N |
| Literature Reference Author | P.POLCYN,M.JURCZAK,A.RAJNISZ,J.SOLECKA,Z.URBANCZYK-LIPKOWSKA |
| Literature Reference Citation | MOLECULES,14,3881(2009) |
| Literature Reference DOI | 10.3390/molecules14103881 |
| Molecular Weight | 1335.736 g/mol |
| Sample ID | 69834 |
| Solvent | Unknown |