| SpectraBase Compound ID | FAnEBd3y5RS |
|---|---|
| InChI | InChI=1S/C62H109N3O15/c1-39(2)22-17-18-28-57(74)78-49-33-47(66)32-48(67)34-52(69)40(3)24-20-26-44(7)58(43(6)23-16-14-12-13-15-19-31-65-61(63-10)64-11)79-60(76)45(8)27-21-25-41(4)53(70)37-54(71)46(9)51(68)30-29-42(5)56(73)38-62(77)59(75)55(72)36-50(35-49)80-62/h12-13,20-21,24-27,39,41-44,46-56,58-59,66-73,75,77H,14-19,22-23,28-38H2,1-11H3,(H2,63,64,65)/b13-12+,25-21+,26-20+,40-24+,45-27+/t41-,42-,43-,44+,46-,47+,48+,49-,50-,51+,52-,53-,54-,55+,56-,58-,59-,62+/m0/s1 |
| InChIKey | BRLHILFTNILTRK-HIXDIEEISA-N |
| Mol Weight | 1136.6 g/mol |
| Molecular Formula | C62H109N3O15 |
| Exact Mass | 1135.78587 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LrZOJoDaTIO |
|---|---|
| Name | 23-(6-METHYL)-HEPTANOIC-ACID-DEMALONYLAZALOMYCIN-F(5A)-ESTER |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H109N3O15 |
| InChI | InChI=1S/C62H109N3O15/c1-39(2)22-17-18-28-57(74)78-49-33-47(66)32-48(67)34-52(69)40(3)24-20-26-44(7)58(43(6)23-16-14-12-13-15-19-31-65-61(63-10)64-11)79-60(76)45(8)27-21-25-41(4)53(70)37-54(71)46(9)51(68)30-29-42(5)56(73)38-62(77)59(75)55(72)36-50(35-49)80-62/h12-13,20-21,24-27,39,41-44,46-56,58-59,66-73,75,77H,14-19,22-23,28-38H2,1-11H3,(H2,63,64,65)/b13-12+,25-21+,26-20+,40-24+,45-27+/t41-,42-,43-,44+,46-,47+,48+,49-,50-,51+,52-,53-,54-,55+,56-,58-,59-,62+/m0/s1 |
| InChIKey | BRLHILFTNILTRK-HIXDIEEISA-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 | 1136.559 g/mol |
| Source File Reference | UWLU74792 |