| SpectraBase Compound ID | 4IT9Y0E1wK7 |
|---|---|
| InChI | InChI=1S/C59H104N4O15/c1-35(2)53(60)57(74)76-45-29-43(64)28-44(65)30-48(67)36(3)21-18-23-40(7)54(39(6)20-16-14-12-13-15-17-27-63-58(61-10)62-11)77-56(73)41(8)24-19-22-37(4)49(68)33-50(69)42(9)47(66)26-25-38(5)52(71)34-59(75)55(72)51(70)32-46(31-45)78-59/h12-13,18-19,21-24,35,37-40,42-55,64-72,75H,14-17,20,25-34,60H2,1-11H3,(H2,61,62,63)/b13-12+,22-19+,23-18+,36-21+,41-24+/t37-,38-,39-,40+,42-,43+,44+,45-,46-,47+,48-,49-,50-,51+,52-,53-,54-,55-,59+/m0/s1 |
| InChIKey | PVRLQRUKGWFMCF-QUJBKRTHSA-N |
| Mol Weight | 1109.5 g/mol |
| Molecular Formula | C59H104N4O15 |
| Exact Mass | 1108.749819 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JRCnAYym2Ce |
|---|---|
| Name | 23-VALINE-DEMALONYLAZALOMYCIN-F(5A)-ESTER |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C59H104N4O15 |
| InChI | InChI=1S/C59H104N4O15/c1-35(2)53(60)57(74)76-45-29-43(64)28-44(65)30-48(67)36(3)21-18-23-40(7)54(39(6)20-16-14-12-13-15-17-27-63-58(61-10)62-11)77-56(73)41(8)24-19-22-37(4)49(68)33-50(69)42(9)47(66)26-25-38(5)52(71)34-59(75)55(72)51(70)32-46(31-45)78-59/h12-13,18-19,21-24,35,37-40,42-55,64-72,75H,14-17,20,25-34,60H2,1-11H3,(H2,61,62,63)/b13-12+,22-19+,23-18+,36-21+,41-24+/t37-,38-,39-,40+,42-,43+,44+,45-,46-,47+,48-,49-,50-,51+,52-,53-,54-,55-,59+/m0/s1 |
| InChIKey | PVRLQRUKGWFMCF-QUJBKRTHSA-N |
| Literature Reference Author | G.YUAN,K.HONG,H.LIN,Z.SHE,J.LI |
| Literature Reference Citation | MAR.DRUGS,11,817(2013) |
| Literature Reference DOI | 10.3390/md11030817 |
| Molecular Weight | 1109.493 g/mol |
| Source File Reference | UWLU74788 |