| SpectraBase Compound ID | BcT1Se0D7PC |
|---|---|
| InChI | InChI=1S/C76H117FN6O11Si3/c1-49(2)95(50(3)4,51(5)6)92-65-38-33-59(34-39-65)43-70(94-97(55(13)14,56(15)16)57(17)18)72(86)80-67(42-58-31-36-63(77)37-32-58)73(87)83-68-45-66(93-96(52(7)8,53(9)10)54(11)12)40-35-62(68)44-69(83)71(85)79-64(46-84)30-25-41-82(76(89)91-48-61-28-23-20-24-29-61)74(78)81-75(88)90-47-60-26-21-19-22-27-60/h19-24,26-29,31-34,36-39,49-57,62,64,66-70,84H,25,30,35,40-48H2,1-18H3,(H,79,85)(H,80,86)(H2,78,81,88)/t62-,64-,66+,67+,68-,69-,70+/m0/s1 |
| InChIKey | FUGASPLSLNTJIG-ACJZSSNJSA-N |
| Mol Weight | 1394.1 g/mol |
| Molecular Formula | C76H117FN6O11Si3 |
| Exact Mass | 1392.807216 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Knu1CYyEF8h |
|---|---|
| Name | TIPS-O-D-HPLA(TIPS)-D-PHE(4-F)-L-CHOI(TIPS)-L-ARGOL(DELTA,OMEGA'-DI-CBZ)-OME |
| Compound Number | 23C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C76H117FN6O11Si3 |
| InChI | InChI=1S/C76H117FN6O11Si3/c1-49(2)95(50(3)4,51(5)6)92-65-38-33-59(34-39-65)43-70(94-97(55(13)14,56(15)16)57(17)18)72(86)80-67(42-58-31-36-63(77)37-32-58)73(87)83-68-45-66(93-96(52(7)8,53(9)10)54(11)12)40-35-62(68)44-69(83)71(85)79-64(46-84)30-25-41-82(76(89)91-48-61-28-23-20-24-29-61)74(78)81-75(88)90-47-60-26-21-19-22-27-60/h19-24,26-29,31-34,36-39,49-57,62,64,66-70,84H,25,30,35,40-48H2,1-18H3,(H,79,85)(H,80,86)(H2,78,81,88)/t62-,64-,66+,67+,68-,69-,70+/m0/s1 |
| InChIKey | FUGASPLSLNTJIG-ACJZSSNJSA-N |
| Literature Reference Author | T.OHSHIMA.V.GNANADESIKAN,T.SHIBUGUCHHI,Y.FUKUTA,T.NEMOTO,M.S HIBASAKI |
| Literature Reference Citation | J.AM.CHEM.SOC.,125,11206(2003) |
| Literature Reference DOI | 10.1021/ja037290e |
| Molecular Weight | 1394.053 g/mol |
| Sample ID | 50521 |
| Solvent | CDCl3 |