![CYCLO-[TRI-[3-(N-L-ALANYL-AMINO)-5-(N-DECANOYL-AMINO)-PHENYLCARBONYL]]](/api/spectrum/8g5MdXP6vrQ/structure.png?h=300&w=458 "CYCLO-[TRI-[3-(N-L-ALANYL-AMINO)-5-(N-DECANOYL-AMINO)-PHENYLCARBONYL]]")
| SpectraBase Compound ID | 8ngD3zLyeFm |
|---|---|
| InChI | InChI=1S/C60H87N9O9/c1-7-10-13-16-19-22-25-28-52(70)64-46-31-43-34-49(37-46)67-55(73)40(4)62-59(77)44-32-47(65-53(71)29-26-23-20-17-14-11-8-2)39-51(35-44)69-57(75)42(6)63-60(78)45-33-48(66-54(72)30-27-24-21-18-15-12-9-3)38-50(36-45)68-56(74)41(5)61-58(43)76/h31-42H,7-30H2,1-6H3,(H,61,76)(H,62,77)(H,63,78)(H,64,70)(H,65,71)(H,66,72)(H,67,73)(H,68,74)(H,69,75)/t40-,41-,42-/m0/s1 |
| InChIKey | GPNYQWVERCFEST-BJKOEGOMSA-N |
| Mol Weight | 1078.4 g/mol |
| Molecular Formula | C60H87N9O9 |
| Exact Mass | 1077.662675 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8g5MdXP6vrQ |
|---|---|
| Name | CYCLO-[TRI-[3-(N-L-ALANYL-AMINO)-5-(N-DECANOYL-AMINO)-PHENYLCARBONYL]] |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H87N9O9 |
| InChI | InChI=1S/C60H87N9O9/c1-7-10-13-16-19-22-25-28-52(70)64-46-31-43-34-49(37-46)67-55(73)40(4)62-59(77)44-32-47(65-53(71)29-26-23-20-17-14-11-8-2)39-51(35-44)69-57(75)42(6)63-60(78)45-33-48(66-54(72)30-27-24-21-18-15-12-9-3)38-50(36-45)68-56(74)41(5)61-58(43)76/h31-42H,7-30H2,1-6H3,(H,61,76)(H,62,77)(H,63,78)(H,64,70)(H,65,71)(H,66,72)(H,67,73)(H,68,74)(H,69,75)/t40-,41-,42-/m0/s1 |
| InChIKey | GPNYQWVERCFEST-BJKOEGOMSA-N |
| Literature Reference Author | H.ISHIDA,Z.QI,M.SOKABE,K.DONOWAKI,Y.INOUE |
| Literature Reference Citation | J.ORG.CHEM.,66,2978(2001) |
| Literature Reference DOI | 10.1021/jo001079t |
| Molecular Weight | 1078.406 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN26412 |