| SpectraBase Compound ID | 1oDLilcSLu |
|---|---|
| InChI | InChI=1S/C45H58N10O9/c1-4-25(2)38-43(62)48-24-37(57)49-26(3)44(63)54-18-10-16-34(54)41(60)51-32(21-28-23-47-30-15-9-8-14-29(28)30)39(58)52-33(22-36(46)56)45(64)55-19-11-17-35(55)42(61)50-31(40(59)53-38)20-27-12-6-5-7-13-27/h5-9,12-15,23,25-26,31-35,38,47H,4,10-11,16-22,24H2,1-3H3,(H2,46,56)(H,48,62)(H,49,57)(H,50,61)(H,51,60)(H,52,58)(H,53,59)/t25?,26-,31-,32-,33-,34+,35-,38-/m0/s1 |
| InChIKey | IHTGVVXTXBFTBZ-JKTKBEFRSA-N |
| Mol Weight | 883.0 g/mol |
| Molecular Formula | C45H58N10O9 |
| Exact Mass | 882.438823 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3pMkbbEFbpY |
|---|---|
| Name | BRACHYSTEMIN_H;CYCLO-(PRO-(1)-PHE-(2)-ILE-(3)-GLY-(4)-ALA-(5)-PRO-(6)-TRP-(7)-ASN-(8)) |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H58N10O9 |
| InChI | InChI=1S/C45H58N10O9/c1-4-25(2)38-43(62)48-24-37(57)49-26(3)44(63)54-18-10-16-34(54)41(60)51-32(21-28-23-47-30-15-9-8-14-29(28)30)39(58)52-33(22-36(46)56)45(64)55-19-11-17-35(55)42(61)50-31(40(59)53-38)20-27-12-6-5-7-13-27/h5-9,12-15,23,25-26,31-35,38,47H,4,10-11,16-22,24H2,1-3H3,(H2,46,56)(H,48,62)(H,49,57)(H,50,61)(H,51,60)(H,52,58)(H,53,59)/t25?,26-,31-,32-,33-,34+,35-,38-/m0/s1 |
| InChIKey | IHTGVVXTXBFTBZ-JKTKBEFRSA-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 | 883.017 g/mol |
| Sample ID | 38433 |
| Solvent | DMSO-D6 |