| SpectraBase Compound ID | JCfdWLGQVWB |
|---|---|
| InChI | InChI=1S/C65H115N3O15/c1-42(2)25-19-15-11-12-17-21-31-60(77)81-52-36-50(69)35-51(70)37-55(72)43(3)27-23-29-47(7)61(46(6)26-20-16-13-14-18-22-34-68-64(66)67-10)82-63(79)48(8)30-24-28-44(4)56(73)40-57(74)49(9)54(71)33-32-45(5)59(76)41-65(80)62(78)58(75)39-53(38-52)83-65/h13-14,23-24,27-30,42,44-47,49-59,61-62,69-76,78,80H,11-12,15-22,25-26,31-41H2,1-10H3,(H3,66,67,68)/b14-13+,28-24+,29-23+,43-27+,48-30+/t44-,45-,46-,47+,49-,50+,51+,52-,53-,54+,55-,56-,57-,58+,59-,61-,62-,65+/m0/s1 |
| InChIKey | UEVRSRIAXOGKNQ-ZFJDNEPLSA-N |
| Mol Weight | 1178.6 g/mol |
| Molecular Formula | C65H115N3O15 |
| Exact Mass | 1177.83282 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LyZSwJXRMMK |
|---|---|
| Name | 23-(10-METHYL)-UNDECANOIC-ACID-DEMALONYLAZALOMYCIN-F(4A)-ESTER |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C65H115N3O15 |
| InChI | InChI=1S/C65H115N3O15/c1-42(2)25-19-15-11-12-17-21-31-60(77)81-52-36-50(69)35-51(70)37-55(72)43(3)27-23-29-47(7)61(46(6)26-20-16-13-14-18-22-34-68-64(66)67-10)82-63(79)48(8)30-24-28-44(4)56(73)40-57(74)49(9)54(71)33-32-45(5)59(76)41-65(80)62(78)58(75)39-53(38-52)83-65/h13-14,23-24,27-30,42,44-47,49-59,61-62,69-76,78,80H,11-12,15-22,25-26,31-41H2,1-10H3,(H3,66,67,68)/b14-13+,28-24+,29-23+,43-27+,48-30+/t44-,45-,46-,47+,49-,50+,51+,52-,53-,54+,55-,56-,57-,58+,59-,61-,62-,65+/m0/s1 |
| InChIKey | UEVRSRIAXOGKNQ-ZFJDNEPLSA-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 | 1178.639 g/mol |
| Source File Reference | UWLU74793 |