| SpectraBase Compound ID | JLmp8w3bMx5 |
|---|---|
| InChI | InChI=1S/C57H97N3O17/c1-34-19-16-21-38(5)53(37(4)18-14-12-10-11-13-15-25-60-56(58-8)59-9)76-55(73)39(6)22-17-20-35(2)47(65)31-48(66)40(7)45(63)24-23-36(3)50(68)33-57(74)54(72)49(67)30-44(77-57)28-41(61)26-43(27-42(62)29-46(34)64)75-52(71)32-51(69)70/h10-11,16-17,19-22,35-38,40-50,53-54,61-68,72,74H,12-15,18,23-33H2,1-9H3,(H,69,70)(H2,58,59,60)/b11-10+,20-17+,21-16+,34-19+,39-22+/t35-,36-,37-,38+,40-,41-,42+,43-,44-,45+,46-,47-,48-,49+,50-,53-,54-,57+/m0/s1 |
| InChIKey | ULHJRSBSTUGEPH-DZBKETHKSA-N |
| Mol Weight | 1096.4 g/mol |
| Molecular Formula | C57H97N3O17 |
| Exact Mass | 1095.681799 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ah7FHUjAh9d |
|---|---|
| Name | 25-MALONYL-DEMALONYLAZALOMYCIN-F(5A)-MONOESTER |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H97N3O17 |
| InChI | InChI=1S/C57H97N3O17/c1-34-19-16-21-38(5)53(37(4)18-14-12-10-11-13-15-25-60-56(58-8)59-9)76-55(73)39(6)22-17-20-35(2)47(65)31-48(66)40(7)45(63)24-23-36(3)50(68)33-57(74)54(72)49(67)30-44(77-57)28-41(61)26-43(27-42(62)29-46(34)64)75-52(71)32-51(69)70/h10-11,16-17,19-22,35-38,40-50,53-54,61-68,72,74H,12-15,18,23-33H2,1-9H3,(H,69,70)(H2,58,59,60)/b11-10+,20-17+,21-16+,34-19+,39-22+/t35-,36-,37-,38+,40-,41-,42+,43-,44-,45+,46-,47-,48-,49+,50-,53-,54-,57+/m0/s1 |
| InChIKey | ULHJRSBSTUGEPH-DZBKETHKSA-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 | 1096.407 g/mol |
| Source File Reference | UWLU74787 |