| SpectraBase Compound ID | JJWSjUFaC1 |
|---|---|
| InChI | InChI=1S/C64H111N3O17/c1-12-22-47(13-2)39-81-58(76)37-59(77)82-50-32-48(68)31-49(69)33-53(71)40(3)24-20-26-44(7)60(43(6)23-18-16-14-15-17-19-30-67-63(65-10)66-11)83-62(79)45(8)27-21-25-41(4)54(72)36-55(73)46(9)52(70)29-28-42(5)57(75)38-64(80)61(78)56(74)35-51(34-50)84-64/h14-15,20-21,24-27,41-44,46-57,60-61,68-75,78,80H,12-13,16-19,22-23,28-39H2,1-11H3,(H2,65,66,67)/b15-14+,25-21+,26-20+,40-24+,45-27+ |
| InChIKey | XEFFZMUHMATOEB-WUSSNQPYSA-N |
| Mol Weight | 1194.6 g/mol |
| Molecular Formula | C64H111N3O17 |
| Exact Mass | 1193.791349 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DBSiv74pkMF |
|---|---|
| Name | AZALOMYCIN-F5A-2-ETHYLPENTYLESTER |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H111N3O17 |
| InChI | InChI=1S/C64H111N3O17/c1-12-22-47(13-2)39-81-58(76)37-59(77)82-50-32-48(68)31-49(69)33-53(71)40(3)24-20-26-44(7)60(43(6)23-18-16-14-15-17-19-30-67-63(65-10)66-11)83-62(79)45(8)27-21-25-41(4)54(72)36-55(73)46(9)52(70)29-28-42(5)57(75)38-64(80)61(78)56(74)35-51(34-50)84-64/h14-15,20-21,24-27,41-44,46-57,60-61,68-75,78,80H,12-13,16-19,22-23,28-39H2,1-11H3,(H2,65,66,67)/b15-14+,25-21+,26-20+,40-24+,45-27+ |
| InChIKey | XEFFZMUHMATOEB-WUSSNQPYSA-N |
| Literature Reference Author | G.YUAN,H.LIN,C.WANG,K.HONG,Y.LIU,J.LI |
| Literature Reference Citation | MAGN.RES.CHEM.,49,30(2011) |
| Literature Reference DOI | 10.1002/mrc.2697 |
| Molecular Weight | 1194.595 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWBT12803 |