| SpectraBase Compound ID | 93ZJBwUxNOY |
|---|---|
| InChI | InChI=1S/C42H62N8O9/c1-23(2)20-29-36(53)47-31(21-24(3)4)41(58)50-19-9-12-34(50)42(59)49-18-8-10-32(49)38(55)43-25(5)35(52)44-26(6)40(57)48-17-7-11-33(48)39(56)46-30(37(54)45-29)22-27-13-15-28(51)16-14-27/h13-16,23-26,29-34,51H,7-12,17-22H2,1-6H3,(H,43,55)(H,44,52)(H,45,54)(H,46,56)(H,47,53)/t25-,26-,29-,30-,31-,32-,33-,34-/m0/s1 |
| InChIKey | CZLLFFWTDRQIDR-PWCCRCDVSA-N |
| Mol Weight | 823.0 g/mol |
| Molecular Formula | C42H62N8O9 |
| Exact Mass | 822.463976 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2Jprf81O44J |
|---|---|
| Name | GYPSIN_C;CYCLO-(-ALA(1)-PRO-(2)-TYR-(3)-LEU-(4)-LEU-(5)-PRO-(6)-PRO-(7)-ALA-(8)) |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H62N8O9 |
| InChI | InChI=1S/C42H62N8O9/c1-23(2)20-29-36(53)47-31(21-24(3)4)41(58)50-19-9-12-34(50)42(59)49-18-8-10-32(49)38(55)43-25(5)35(52)44-26(6)40(57)48-17-7-11-33(48)39(56)46-30(37(54)45-29)22-27-13-15-28(51)16-14-27/h13-16,23-26,29-34,51H,7-12,17-22H2,1-6H3,(H,43,55)(H,44,52)(H,45,54)(H,46,56)(H,47,53)/t25-,26-,29-,30-,31-,32-,33-,34-/m0/s1 |
| InChIKey | CZLLFFWTDRQIDR-PWCCRCDVSA-N |
| Literature Reference Author | M.B.DEABREU,F.D.PIAZ,A.TEMRAZ,A.BADER,N.DETOMMASI,A.BRACA |
| Literature Reference Citation | J.NAT.PROD.,71,1336(2008) |
| Literature Reference DOI | 10.1021/np700735a |
| Molecular Weight | 823.002 g/mol |
| Sample ID | 28425 |
| Solvent | DMSO-D6 |