| SpectraBase Compound ID | JQJLRDynjAa |
|---|---|
| InChI | InChI=1S/C57H90N12O19/c1-6-33(4)48-57(88)69-24-18-21-40(69)53(84)58-28-38(65-52(83)37(27-47(79)80)62-41(71)22-15-13-11-9-7-8-10-12-14-19-32(2)3)56(87)68-23-17-16-20-39(68)54(85)61-30-43(73)64-35(25-45(75)76)50(81)59-29-42(72)63-36(26-46(77)78)51(82)60-31-44(74)66-49(34(5)70)55(86)67-48/h15,22,32-40,48-49,70H,6-14,16-21,23-31H2,1-5H3,(H,58,84)(H,59,81)(H,60,82)(H,61,85)(H,62,71)(H,63,72)(H,64,73)(H,65,83)(H,66,74)(H,67,86)(H,75,76)(H,77,78)(H,79,80)/b22-15+ |
| InChIKey | JHAQMJWHVDTRJM-PXLXIMEGSA-N |
| Mol Weight | 1247.4 g/mol |
| Molecular Formula | C57H90N12O19 |
| Exact Mass | 1246.644519 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BYDxQ9N9AJA |
|---|---|
| Name | LASPARTOMYCIN_C |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H90N12O19 |
| InChI | InChI=1S/C57H90N12O19/c1-6-33(4)48-57(88)69-24-18-21-40(69)53(84)58-28-38(65-52(83)37(27-47(79)80)62-41(71)22-15-13-11-9-7-8-10-12-14-19-32(2)3)56(87)68-23-17-16-20-39(68)54(85)61-30-43(73)64-35(25-45(75)76)50(81)59-29-42(72)63-36(26-46(77)78)51(82)60-31-44(74)66-49(34(5)70)55(86)67-48/h15,22,32-40,48-49,70H,6-14,16-21,23-31H2,1-5H3,(H,58,84)(H,59,81)(H,60,82)(H,61,85)(H,62,71)(H,63,72)(H,64,73)(H,65,83)(H,66,74)(H,67,86)(H,75,76)(H,77,78)(H,79,80)/b22-15+ |
| InChIKey | JHAQMJWHVDTRJM-PXLXIMEGSA-N |
| Literature Reference Author | D.B.BORDERS,R.A.LEESE,H.JAROLMEN,N.D.FRANCIS,A.A.FANTINI,T.F ALLA,J.C.FIDDES,A.AU |
| Literature Reference Citation | J.NAT.PROD.,70,443(2007) |
| Literature Reference DOI | 10.1021/np068056f |
| Molecular Weight | 1247.411 g/mol |
| Sample ID | 30061 |
| Solvent | D2O:C5D5N=2:1 |