| SpectraBase Compound ID | LJQemrMdtOH |
|---|---|
| InChI | InChI=1S/C45H80N6O11/c1-10-11-12-13-14-15-16-17-18-19-20-21-32(54)25-37(55)46-33(22-27(2)3)41(57)51-39-31(9)62-45(61)35(24-29(6)7)48-40(56)34(23-28(4)5)47-43(59)38(30(8)53)50-42(58)36(26-52)49-44(39)60/h15-16,27-36,38-39,52-54H,10-14,17-26H2,1-9H3,(H,46,55)(H,47,59)(H,48,56)(H,49,60)(H,50,58)(H,51,57)/b16-15-/t30-,31-,32?,33?,34?,35?,36+,38-,39-/m0/s1 |
| InChIKey | MZSMZYBORPEUEF-UYAXQRLOSA-N |
| Mol Weight | 881.2 g/mol |
| Molecular Formula | C45H80N6O11 |
| Exact Mass | 880.588507 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LRNraFlxNZa |
|---|---|
| Name | NGERCHEUMICIN-H |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H80N6O11 |
| InChI | InChI=1S/C45H80N6O11/c1-10-11-12-13-14-15-16-17-18-19-20-21-32(54)25-37(55)46-33(22-27(2)3)41(57)51-39-31(9)62-45(61)35(24-29(6)7)48-40(56)34(23-28(4)5)47-43(59)38(30(8)53)50-42(58)36(26-52)49-44(39)60/h15-16,27-36,38-39,52-54H,10-14,17-26H2,1-9H3,(H,46,55)(H,47,59)(H,48,56)(H,49,60)(H,50,58)(H,51,57)/b16-15-/t30-,31-,32?,33?,34?,35?,36+,38-,39-/m0/s1 |
| InChIKey | MZSMZYBORPEUEF-UYAXQRLOSA-N |
| Literature Reference Author | L.KJAERULFF,A.NIELSEN,M.MANSSON,L.GRAM,T.O.LARSEN,H.INGMER,C .H.GOTFREDSEN |
| Literature Reference Citation | MAR.DRUGS,11,5051(2013) |
| Literature Reference DOI | 10.3390/md11125051 |
| Molecular Weight | 881.164 g/mol |
| Source File Reference | UWBT6669 |