| SpectraBase Compound ID | EWk4nkcdVjX |
|---|---|
| InChI | InChI=1S/C61H94N10O17/c1-35(2)18-10-7-15-23-40(74)30-50(76)63-46(31-51(77)78)56(82)67-45(28-39-21-13-9-14-22-39)55(81)68-48(34-73)58(84)70-52(37(5)6)60(86)71-32-41(75)29-49(71)59(85)69-47(33-72)57(83)65-43(26-36(3)4)53(79)66-44(27-38-19-11-8-12-20-38)54(80)64-42(61(87)88)24-16-17-25-62/h8-9,11-14,19-22,35-37,40-49,52,72-75H,7,10,15-18,23-34,62H2,1-6H3,(H,63,76)(H,64,80)(H,65,83)(H,66,79)(H,67,82)(H,68,81)(H,69,85)(H,70,84)(H,77,78)(H,87,88)/t40?,41-,42+,43-,44?,45?,46+,47+,48+,49+,52-/m0/s1 |
| InChIKey | BDIMJXXNMCZHLK-FWLFHKLJSA-N |
| Mol Weight | 1239.5 g/mol |
| Molecular Formula | C61H94N10O17 |
| Exact Mass | 1238.679842 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lf2LVuvb3b8 |
|---|---|
| Name | KAHALALIDE-J |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C61H94N10O17 |
| InChI | InChI=1S/C61H94N10O17/c1-35(2)18-10-7-15-23-40(74)30-50(76)63-46(31-51(77)78)56(82)67-45(28-39-21-13-9-14-22-39)55(81)68-48(34-73)58(84)70-52(37(5)6)60(86)71-32-41(75)29-49(71)59(85)69-47(33-72)57(83)65-43(26-36(3)4)53(79)66-44(27-38-19-11-8-12-20-38)54(80)64-42(61(87)88)24-16-17-25-62/h8-9,11-14,19-22,35-37,40-49,52,72-75H,7,10,15-18,23-34,62H2,1-6H3,(H,63,76)(H,64,80)(H,65,83)(H,66,79)(H,67,82)(H,68,81)(H,69,85)(H,70,84)(H,77,78)(H,87,88)/t40?,41-,42+,43-,44?,45?,46+,47+,48+,49+,52-/m0/s1 |
| InChIKey | BDIMJXXNMCZHLK-FWLFHKLJSA-N |
| Literature Reference Author | G.GOETZ,Y.NAKAO,P.J.SCHEUER |
| Literature Reference Citation | J.NAT.PROD.,60,562(1997) |
| Literature Reference DOI | 10.1021/np970045m |
| Molecular Weight | 1239.474 g/mol |
| Solvent | DMF-D7/CF3COOH |
| Source File Reference | UWGS184 |