| SpectraBase Compound ID | 9GUvXgrVJAI |
|---|---|
| InChI | InChI=1S/C51H68N2O10/c1-30(2)14-9-16-32(5)18-11-21-50(7)43(56)26-36-41(54)24-34-38(45(36)62-50)28-52(47(34)58)23-13-20-40(49(60)61)53-29-39-35(48(53)59)25-42(55)37-27-44(57)51(8,63-46(37)39)22-12-19-33(6)17-10-15-31(3)4/h14-15,18-19,24-25,40,43-44,54-57H,9-13,16-17,20-23,26-29H2,1-8H3,(H,60,61)/b32-18+,33-19+/t40-,43+,44-,50+,51-/m0/s1 |
| InChIKey | CRNDCHORWGDFGR-QJWWRMKTSA-N |
| Mol Weight | 869.1 g/mol |
| Molecular Formula | C51H68N2O10 |
| Exact Mass | 868.487396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C3rrhLzN5wQ |
|---|---|
| Name | SMTP-7D |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H68N2O10 |
| InChI | InChI=1S/C51H68N2O10/c1-30(2)14-9-16-32(5)18-11-21-50(7)43(56)26-36-41(54)24-34-38(45(36)62-50)28-52(47(34)58)23-13-20-40(49(60)61)53-29-39-35(48(53)59)25-42(55)37-27-44(57)51(8,63-46(37)39)22-12-19-33(6)17-10-15-31(3)4/h14-15,18-19,24-25,40,43-44,54-57H,9-13,16-17,20-23,26-29H2,1-8H3,(H,60,61)/b32-18+,33-19+/t40-,43+,44-,50+,51-/m0/s1 |
| InChIKey | CRNDCHORWGDFGR-QJWWRMKTSA-N |
| Literature Reference Author | W.HU,Y.KITANO,K.HASUMI |
| Literature Reference Citation | J.ANTIBIOTICS,56,832(2003) |
| Literature Reference DOI | 10.7164/antibiotics.56.832 |
| Molecular Weight | 869.108 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWKP3048 |