| SpectraBase Compound ID | EUbrmsTJade |
|---|---|
| InChI | InChI=1S/C60H95N13O20/c1-31(2)20-15-13-11-9-8-10-12-14-16-23-41(74)65-38(28-46(81)82)53(85)71-50-35(7)64-54(86)40-22-19-25-73(40)58(90)47(32(3)4)69-57(89)49(34(6)61)68-43(76)30-63-51(83)36(26-44(77)78)66-42(75)29-62-52(84)37(27-45(79)80)67-56(88)48(33(5)60(92)93)70-55(87)39-21-17-18-24-72(39)59(50)91/h14,16,31-40,47-50H,8-13,15,17-30,61H2,1-7H3,(H,62,84)(H,63,83)(H,64,86)(H,65,74)(H,66,75)(H,67,88)(H,68,76)(H,69,89)(H,70,87)(H,71,85)(H,77,78)(H,79,80)(H,81,82)(H,92,93)/b16-14-/t33?,34?,35?,36-,37-,38-,39+,40-,47-,48-,49+,50-/m0/s1 |
| InChIKey | FVVYOVMLZOFBJN-AQJPJACLSA-N |
| Mol Weight | 1318.5 g/mol |
| Molecular Formula | C60H95N13O20 |
| Exact Mass | 1317.681632 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FvZqG1MkvEJ |
|---|---|
| Name | ASPARTOCIN-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H95N13O20 |
| InChI | InChI=1S/C60H95N13O20/c1-31(2)20-15-13-11-9-8-10-12-14-16-23-41(74)65-38(28-46(81)82)53(85)71-50-35(7)64-54(86)40-22-19-25-73(40)58(90)47(32(3)4)69-57(89)49(34(6)61)68-43(76)30-63-51(83)36(26-44(77)78)66-42(75)29-62-52(84)37(27-45(79)80)67-56(88)48(33(5)60(92)93)70-55(87)39-21-17-18-24-72(39)59(50)91/h14,16,31-40,47-50H,8-13,15,17-30,61H2,1-7H3,(H,62,84)(H,63,83)(H,64,86)(H,65,74)(H,66,75)(H,67,88)(H,68,76)(H,69,89)(H,70,87)(H,71,85)(H,77,78)(H,79,80)(H,81,82)(H,92,93)/b16-14-/t33?,34?,35?,36-,37-,38-,39+,40-,47-,48-,49+,50-/m0/s1 |
| InChIKey | FVVYOVMLZOFBJN-AQJPJACLSA-N |
| Literature Reference Author | F.KONG,K.JANOTA,J.S.ASHCROFT,G.T.CARTER |
| Literature Reference Citation | REC.NAT.PROD.,4,131(2010) |
| Molecular Weight | 1318.489 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWBT15387 |