| SpectraBase Compound ID | DOj1UcwKOtC |
|---|---|
| InChI | InChI=1S/C64H113N3O15/c1-41(2)24-18-14-13-16-20-30-59(76)80-51-35-49(68)34-50(69)36-54(71)42(3)26-22-28-46(7)60(45(6)25-19-15-11-12-17-21-33-67-63(65)66-10)81-62(78)47(8)29-23-27-43(4)55(72)39-56(73)48(9)53(70)32-31-44(5)58(75)40-64(79)61(77)57(74)38-52(37-51)82-64/h11-12,22-23,26-29,41,43-46,48-58,60-61,68-75,77,79H,13-21,24-25,30-40H2,1-10H3,(H3,65,66,67)/b12-11+,27-23+,28-22+,42-26+,47-29+/t43-,44-,45-,46+,48-,49+,50+,51-,52-,53+,54-,55-,56-,57+,58-,60-,61-,64+/m0/s1 |
| InChIKey | HLOXOVNVRWJMFB-GZGUUPIRSA-N |
| Mol Weight | 1164.6 g/mol |
| Molecular Formula | C64H113N3O15 |
| Exact Mass | 1163.81717 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FYmHLwFAgEX |
|---|---|
| Name | 23-(9-METHYL)-DECANOIC-ACID-DEMALONYLAZALOMYCIN-F(4A)-ESTER |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H113N3O15 |
| InChI | InChI=1S/C64H113N3O15/c1-41(2)24-18-14-13-16-20-30-59(76)80-51-35-49(68)34-50(69)36-54(71)42(3)26-22-28-46(7)60(45(6)25-19-15-11-12-17-21-33-67-63(65)66-10)81-62(78)47(8)29-23-27-43(4)55(72)39-56(73)48(9)53(70)32-31-44(5)58(75)40-64(79)61(77)57(74)38-52(37-51)82-64/h11-12,22-23,26-29,41,43-46,48-58,60-61,68-75,77,79H,13-21,24-25,30-40H2,1-10H3,(H3,65,66,67)/b12-11+,27-23+,28-22+,42-26+,47-29+/t43-,44-,45-,46+,48-,49+,50+,51-,52-,53+,54-,55-,56-,57+,58-,60-,61-,64+/m0/s1 |
| InChIKey | HLOXOVNVRWJMFB-GZGUUPIRSA-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 | 1164.612 g/mol |
| Source File Reference | UWLU74790 |