| SpectraBase Compound ID | HcXsLtMjiJf |
|---|---|
| InChI | InChI=1S/C42H53N5O11/c1-23(2)19-30-41(56)47(5)32(21-26-15-17-27(18-16-26)57-42-36(51)35(50)34(49)33(22-48)58-42)38(53)44-29-14-10-9-13-28(29)37(52)43-24(3)40(55)46(4)31(39(54)45-30)20-25-11-7-6-8-12-25/h6-18,23-24,30-36,42,48-51H,19-22H2,1-5H3,(H,43,52)(H,44,53)(H,45,54)/t24-,30-,31-,32-,33-,34-,35+,36-,42-/m0/s1 |
| InChIKey | HGCDDJBOTFSYBL-BSKBRHKLSA-N |
| Mol Weight | 803.9 g/mol |
| Molecular Formula | C42H53N5O11 |
| Exact Mass | 803.374158 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2l459Poeqip |
|---|---|
| Name | CYCLOCISPEPTIDE_F |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H53N5O11 |
| InChI | InChI=1S/C42H53N5O11/c1-23(2)19-30-41(56)47(5)32(21-26-15-17-27(18-16-26)57-42-36(51)35(50)34(49)33(22-48)58-42)38(53)44-29-14-10-9-13-28(29)37(52)43-24(3)40(55)46(4)31(39(54)45-30)20-25-11-7-6-8-12-25/h6-18,23-24,30-36,42,48-51H,19-22H2,1-5H3,(H,43,52)(H,44,53)(H,45,54)/t24-,30-,31-,32-,33-,34-,35+,36-,42-/m0/s1 |
| InChIKey | HGCDDJBOTFSYBL-BSKBRHKLSA-N |
| Literature Reference Author | Y.ZHANG,S.LIU,H.LIU,X.LIU,Y.CHE |
| Literature Reference Citation | J.NAT.PROD.,72,1364(2009) |
| Literature Reference DOI | 10.1021/np900205m |
| Molecular Weight | 803.910 g/mol |
| Sample ID | 33271 |
| Solvent | ACETONE-D6 |