| SpectraBase Compound ID | H3CcxrAF2Nv |
|---|---|
| InChI | InChI=1S/C77H117FN6O12Si3/c1-49(2)97(50(3)4,51(5)6)94-64-39-34-59(35-40-64)44-70(96-99(55(13)14,56(15)16)57(17)18)72(86)81-67(43-58-32-37-63(78)38-33-58)73(87)84-68-46-65(95-98(52(7)8,53(9)10)54(11)12)41-36-62(68)45-69(84)71(85)80-66(74(88)91-19)31-26-42-83(77(90)93-48-61-29-24-21-25-30-61)75(79)82-76(89)92-47-60-27-22-20-23-28-60/h20-25,27-30,32-35,37-40,49-57,62,65-70H,26,31,36,41-48H2,1-19H3,(H,80,85)(H,81,86)(H2,79,82,89)/t62-,65+,66+,67+,68-,69-,70+/m0/s1 |
| InChIKey | XIHSLXVPKKNGID-QJVXKKNFSA-N |
| Mol Weight | 1422.1 g/mol |
| Molecular Formula | C77H117FN6O12Si3 |
| Exact Mass | 1420.802131 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 389UVOG3oBp |
|---|---|
| Name | TIPS-O-D-HPLA(TIPS)-D-PHE(4-F)-L-CHOI(TIPS)-L-ARG(DELTA,OMEGA'-DI-CBZ)-OME |
| Compound Number | 22C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C77H117FN6O12Si3 |
| InChI | InChI=1S/C77H117FN6O12Si3/c1-49(2)97(50(3)4,51(5)6)94-64-39-34-59(35-40-64)44-70(96-99(55(13)14,56(15)16)57(17)18)72(86)81-67(43-58-32-37-63(78)38-33-58)73(87)84-68-46-65(95-98(52(7)8,53(9)10)54(11)12)41-36-62(68)45-69(84)71(85)80-66(74(88)91-19)31-26-42-83(77(90)93-48-61-29-24-21-25-30-61)75(79)82-76(89)92-47-60-27-22-20-23-28-60/h20-25,27-30,32-35,37-40,49-57,62,65-70H,26,31,36,41-48H2,1-19H3,(H,80,85)(H,81,86)(H2,79,82,89)/t62-,65+,66+,67+,68-,69-,70+/m0/s1 |
| InChIKey | XIHSLXVPKKNGID-QJVXKKNFSA-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 | 1422.064 g/mol |
| Sample ID | 50517 |
| Solvent | CDCl3 |