| SpectraBase Compound ID | EBJZSP9G9cY |
|---|---|
| InChI | InChI=1S/C68H89N7O11/c1-11-42(3)57(72-66(83)84-41-51-49-27-18-16-25-47(49)48-26-17-19-28-50(48)51)61(78)71-58(43(4)12-2)64(81)74-37-21-30-55(74)60(77)70-53(40-45-32-34-46(35-33-45)85-67(5,6)7)62(79)73-36-20-29-54(73)59(76)69-52(39-44-23-14-13-15-24-44)63(80)75-38-22-31-56(75)65(82)86-68(8,9)10/h13-19,23-28,32-35,42-43,51-58H,11-12,20-22,29-31,36-41H2,1-10H3,(H,69,76)(H,70,77)(H,71,78)(H,72,83)/t42?,43-,52-,53-,54+,55+,56+,57+,58+/m0/s1 |
| InChIKey | MFXCXTOJLFFNEG-CXDQYWHTSA-N |
| Mol Weight | 1180.5 g/mol |
| Molecular Formula | C68H89N7O11 |
| Exact Mass | 1179.662007 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2zOVHcYYu8s |
|---|---|
| Name | N-FMOC-ILE-ILE-PRO-TYR-(O-TERT.-BUTYL)-PRO-PHE-PRO-O-TERT.-BUTYL |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C68H89N7O11 |
| InChI | InChI=1S/C68H89N7O11/c1-11-42(3)57(72-66(83)84-41-51-49-27-18-16-25-47(49)48-26-17-19-28-50(48)51)61(78)71-58(43(4)12-2)64(81)74-37-21-30-55(74)60(77)70-53(40-45-32-34-46(35-33-45)85-67(5,6)7)62(79)73-36-20-29-54(73)59(76)69-52(39-44-23-14-13-15-24-44)63(80)75-38-22-31-56(75)65(82)86-68(8,9)10/h13-19,23-28,32-35,42-43,51-58H,11-12,20-22,29-31,36-41H2,1-10H3,(H,69,76)(H,70,77)(H,71,78)(H,72,83)/t42?,43-,52-,53-,54+,55+,56+,57+,58+/m0/s1 |
| InChIKey | MFXCXTOJLFFNEG-CXDQYWHTSA-N |
| Literature Reference Author | G.R.PETTIT,M.R.RHODES,R.TAN |
| Literature Reference Citation | J.NAT.PROD.,62,409(1999) |
| Literature Reference DOI | 10.1021/np980168m |
| Molecular Weight | 1180.495 g/mol |
| Solvent | Unknown |
| Source File Reference | UWCP8711 |