| SpectraBase Compound ID | F5AgNXrWdx0 |
|---|---|
| InChI | InChI=1S/C48H63N9O18/c49-19-4-1-13-28(52-40(64)25-10-7-16-34(58)37(25)61)43(67)55-31-22-73-47(71)33(57-45(69)30(15-3-6-21-51)54-42(66)27-12-9-18-36(60)39(27)63)24-75-48(72)32(23-74-46(31)70)56-44(68)29(14-2-5-20-50)53-41(65)26-11-8-17-35(59)38(26)62/h7-12,16-18,28-33,58-63H,1-6,13-15,19-24,49-51H2,(H,52,64)(H,53,65)(H,54,66)(H,55,67)(H,56,68)(H,57,69)/t28-,29-,30-,31+,32+,33+/m1/s1 |
| InChIKey | UCQNSMWQRQITLO-OKYIMTKNSA-N |
| Mol Weight | 1054.1 g/mol |
| Molecular Formula | C48H63N9O18 |
| Exact Mass | 1053.429106 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 | I9TP7v8GpZK |
|---|---|
| Name | CYCLIC_TRICHRYSOBACTIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H63N9O18 |
| InChI | InChI=1S/C48H63N9O18/c49-19-4-1-13-28(52-40(64)25-10-7-16-34(58)37(25)61)43(67)55-31-22-73-47(71)33(57-45(69)30(15-3-6-21-51)54-42(66)27-12-9-18-36(60)39(27)63)24-75-48(72)32(23-74-46(31)70)56-44(68)29(14-2-5-20-50)53-41(65)26-11-8-17-35(59)38(26)62/h7-12,16-18,28-33,58-63H,1-6,13-15,19-24,49-51H2,(H,52,64)(H,53,65)(H,54,66)(H,55,67)(H,56,68)(H,57,69)/t28-,29-,30-,31+,32+,33+/m1/s1 |
| InChIKey | UCQNSMWQRQITLO-OKYIMTKNSA-N |
| Literature Reference Author | M.SANDY,A.BUTLER |
| Literature Reference Citation | J.NAT.PROD.,74,1207(2011) |
| Literature Reference DOI | 10.1021/np200126z |
| Molecular Weight | 1054.078 g/mol |
| Sample ID | 38226 |
| Solvent | CD3OD |