| SpectraBase Compound ID | 4UKNlGYKLhg |
|---|---|
| InChI | InChI=1S/C43H55N9O10/c1-23-37(56)45-22-34(55)47-30(19-26-11-5-4-6-12-26)38(57)49-35(24(2)53)41(60)50-36(25(3)54)43(62)52-18-10-16-33(52)40(59)48-31(20-27-21-44-29-14-8-7-13-28(27)29)42(61)51-17-9-15-32(51)39(58)46-23/h4-8,11-14,21,23-25,30-33,35-36,44,53-54H,9-10,15-20,22H2,1-3H3,(H,45,56)(H,46,58)(H,47,55)(H,48,59)(H,49,57)(H,50,60)/t23-,24?,25?,30-,31-,32-,33-,35-,36-/m0/s1 |
| InChIKey | KADRLXHCWSLEIB-CERWQYOQSA-N |
| Mol Weight | 858.0 g/mol |
| Molecular Formula | C43H55N9O10 |
| Exact Mass | 857.407189 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bqdp7lgxoli |
|---|---|
| Name | BRACHYSTEMIN_I;CYCLO-(PRO-(1)-ALA-(2)-GLY-(3)-PHE-(4)-THR-(5)-THR-(6)-PRO-(7)-TRP-(8)) |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H55N9O10 |
| InChI | InChI=1S/C43H55N9O10/c1-23-37(56)45-22-34(55)47-30(19-26-11-5-4-6-12-26)38(57)49-35(24(2)53)41(60)50-36(25(3)54)43(62)52-18-10-16-33(52)40(59)48-31(20-27-21-44-29-14-8-7-13-28(27)29)42(61)51-17-9-15-32(51)39(58)46-23/h4-8,11-14,21,23-25,30-33,35-36,44,53-54H,9-10,15-20,22H2,1-3H3,(H,45,56)(H,46,58)(H,47,55)(H,48,59)(H,49,57)(H,50,60)/t23-,24?,25?,30-,31-,32-,33-,35-,36-/m0/s1 |
| InChIKey | KADRLXHCWSLEIB-CERWQYOQSA-N |
| Literature Reference Author | J.ZHAO,L.L.ZHOU,X.LI,H.B.XIAO,F.F.HOU,Y.X.CHENG |
| Literature Reference Citation | J.NAT.PROD.,74,1392(2011) |
| Literature Reference DOI | 10.1021/np200048u |
| Molecular Weight | 857.964 g/mol |
| Sample ID | 38434 |
| Solvent | C5D5N |