| SpectraBase Compound ID | FL3MmmTVhyR |
|---|---|
| InChI | InChI=1S/C52H69N5O14/c1-10-31(2)41(47(63)65-30-34-19-15-12-16-20-34)56-45(61)36(25-32-17-13-11-14-18-32)54-39(59)27-53-40(60)29-57(28-38-42-43(68-51(6,7)67-42)44-48(66-38)70-52(8,9)69-44)46(62)37(55-49(64)71-50(3,4)5)26-33-21-23-35(58)24-22-33/h11-24,31,36-38,41-44,48,58H,10,25-30H2,1-9H3,(H,53,60)(H,54,59)(H,55,64)(H,56,61)/t31?,36?,37?,38-,41?,42+,43+,44-,48-/m0/s1 |
| InChIKey | IZMQZDMAUNGPEO-OENZARPRSA-N |
| Mol Weight | 988.1 g/mol |
| Molecular Formula | C52H69N5O14 |
| Exact Mass | 987.484102 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1ujOK11EefF |
|---|---|
| Name | N-(TERT.-BUTOXYCARBONYL)-L-TYROSYL-N-(6-DEOXY-1,2:3,4-DI-O-ISOPROPYLIDENE-ALPHA-D-GALACTOS-6-YL)-GLYCYLGLYCYL-L-PHENYLALANYL-L-LEUCINE-BENZYL-E |
| Compound Number | 6-CIS |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H69N5O14 |
| InChI | InChI=1S/C52H69N5O14/c1-10-31(2)41(47(63)65-30-34-19-15-12-16-20-34)56-45(61)36(25-32-17-13-11-14-18-32)54-39(59)27-53-40(60)29-57(28-38-42-43(68-51(6,7)67-42)44-48(66-38)70-52(8,9)69-44)46(62)37(55-49(64)71-50(3,4)5)26-33-21-23-35(58)24-22-33/h11-24,31,36-38,41-44,48,58H,10,25-30H2,1-9H3,(H,53,60)(H,54,59)(H,55,64)(H,56,61)/t31?,36?,37?,38-,41?,42+,43+,44-,48-/m0/s1 |
| InChIKey | IZMQZDMAUNGPEO-OENZARPRSA-N |
| Literature Reference Author | M.CUDIC,J.HORVAT,M.ELOFSSON,K.E.BERGQUIST,J.KIHLBERG,S.HORVA T |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,1789(1998) |
| Literature Reference DOI | 10.1039/a801472h |
| Molecular Weight | 988.145 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI7333 |