![(E)-N-[(3S,6S,9S,12S,15S,16R)-6,9-bis(2-amino-2-keto-ethyl)-12-isopropyl-2,5,8,11,14-pentaketo-16-methyl-3-sec-butyl-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]-9-(3-bromo-4-hydroxy-phenyl)non-2-enamide](/api/spectrum/1DWTVJMkcYE/structure.png?h=300&w=458 "(E)-N-[(3S,6S,9S,12S,15S,16R)-6,9-bis(2-amino-2-keto-ethyl)-12-isopropyl-2,5,8,11,14-pentaketo-16-methyl-3-sec-butyl-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]-9-(3-bromo-4-hydroxy-phenyl)non-2-enamide")
| SpectraBase Compound ID | LRaJsaZQ1lW |
|---|---|
| InChI | InChI=1S/C38H56BrN7O10/c1-6-21(4)32-38(55)56-22(5)33(44-30(50)14-12-10-8-7-9-11-13-23-15-16-27(47)24(39)17-23)37(54)45-31(20(2)3)36(53)43-25(18-28(40)48)34(51)42-26(19-29(41)49)35(52)46-32/h12,14-17,20-22,25-26,31-33,47H,6-11,13,18-19H2,1-5H3,(H2,40,48)(H2,41,49)(H,42,51)(H,43,53)(H,44,50)(H,45,54)(H,46,52)/b14-12+/t21-,22-,25+,26+,31+,32+,33+/m1/s1 |
| InChIKey | ASKDREUYFBTHOM-OCNUMVMKSA-N |
| Mol Weight | 850.8 g/mol |
| Molecular Formula | C38H56BrN7O10 |
| Exact Mass | 849.327204 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1DWTVJMkcYE |
|---|---|
| Name | (E)-N-[(3S,6S,9S,12S,15S,16R)-6,9-bis(2-amino-2-keto-ethyl)-12-isopropyl-2,5,8,11,14-pentaketo-16-methyl-3-sec-butyl-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]-9-(3-bromo-4-hydroxy-phenyl)non-2-enamide |
| Compound Number | 1D |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H56BrN7O10 |
| InChI | InChI=1S/C38H56BrN7O10/c1-6-21(4)32-38(55)56-22(5)33(44-30(50)14-12-10-8-7-9-11-13-23-15-16-27(47)24(39)17-23)37(54)45-31(20(2)3)36(53)43-25(18-28(40)48)34(51)42-26(19-29(41)49)35(52)46-32/h12,14-17,20-22,25-26,31-33,47H,6-11,13,18-19H2,1-5H3,(H2,40,48)(H2,41,49)(H,42,51)(H,43,53)(H,44,50)(H,45,54)(H,46,52)/b14-12+/t21-,22-,25+,26+,31+,32+,33+/m1/s1 |
| InChIKey | ASKDREUYFBTHOM-OCNUMVMKSA-N |
| Literature Reference Author | M.SPEITLING,O.F.SMETANINA,T.A.KUZNETSOVA,H.LAATSCH |
| Literature Reference Citation | J.ANTIBIOTICS,60,36(2007) |
| Literature Reference DOI | 10.1038/ja.2007.5 |
| Molecular Weight | 850.808 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWDB1151 |