| SpectraBase Compound ID | Ae4XIadSmpr |
|---|---|
| InChI | InChI=1S/C61H107N3O15/c1-38(2)21-16-17-27-56(73)77-48-32-46(65)31-47(66)33-51(68)39(3)23-19-25-43(7)57(42(6)22-15-13-11-12-14-18-30-64-60(62)63-10)78-59(75)44(8)26-20-24-40(4)52(69)36-53(70)45(9)50(67)29-28-41(5)55(72)37-61(76)58(74)54(71)35-49(34-48)79-61/h11-12,19-20,23-26,38,40-43,45-55,57-58,65-72,74,76H,13-18,21-22,27-37H2,1-10H3,(H3,62,63,64)/b12-11+,24-20+,25-19+,39-23+,44-26+/t40-,41-,42-,43+,45-,46+,47+,48?,49-,50+,51-,52-,53-,54+,55-,57-,58-,61+/m0/s1 |
| InChIKey | FAMPEBFAKCFKOL-NDFHIXMESA-N |
| Mol Weight | 1122.5 g/mol |
| Molecular Formula | C61H107N3O15 |
| Exact Mass | 1121.77022 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2e8MO1bW8pz |
|---|---|
| Name | 23-(6-METHYL)-HEPTANOIC-ACID-DEMALONYLAZALOMYCIN-F(4A)-ESTER |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C61H107N3O15 |
| InChI | InChI=1S/C61H107N3O15/c1-38(2)21-16-17-27-56(73)77-48-32-46(65)31-47(66)33-51(68)39(3)23-19-25-43(7)57(42(6)22-15-13-11-12-14-18-30-64-60(62)63-10)78-59(75)44(8)26-20-24-40(4)52(69)36-53(70)45(9)50(67)29-28-41(5)55(72)37-61(76)58(74)54(71)35-49(34-48)79-61/h11-12,19-20,23-26,38,40-43,45-55,57-58,65-72,74,76H,13-18,21-22,27-37H2,1-10H3,(H3,62,63,64)/b12-11+,24-20+,25-19+,39-23+,44-26+/t40-,41-,42-,43+,45-,46+,47+,48?,49-,50+,51-,52-,53-,54+,55-,57-,58-,61+/m0/s1 |
| InChIKey | FAMPEBFAKCFKOL-NDFHIXMESA-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 | 1122.532 g/mol |
| Source File Reference | UWLU74791 |