| SpectraBase Compound ID | 1BUulzAPudI |
|---|---|
| InChI | InChI=1S/C44H67N5O10/c1-13-26(5)37-40(53)46-31(10)44(57)59-38(27(6)14-2)29(8)34(50)21-20-28(7)43(56)58-35(22-25(3)4)39(52)45-30(9)41(54)49(12)33(23-32-18-16-15-17-19-32)42(55)48(11)24-36(51)47-37/h14-20,25-26,29-31,33-35,37-38,50H,13,21-24H2,1-12H3,(H,45,52)(H,46,53)(H,47,51)/b27-14+,28-20+/t26-,29+,30-,31+,33+,34+,35-,37+,38-/m1/s1 |
| InChIKey | JUJXAYASADIXIM-OTCQREOTSA-N |
| Mol Weight | 826.0 g/mol |
| Molecular Formula | C44H67N5O10 |
| Exact Mass | 825.488793 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3Fsfc8SamV5 |
|---|---|
| Name | KULOKEKAHILIDE-2;CIS-ISOMER |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H67N5O10 |
| InChI | InChI=1S/C44H67N5O10/c1-13-26(5)37-40(53)46-31(10)44(57)59-38(27(6)14-2)29(8)34(50)21-20-28(7)43(56)58-35(22-25(3)4)39(52)45-30(9)41(54)49(12)33(23-32-18-16-15-17-19-32)42(55)48(11)24-36(51)47-37/h14-20,25-26,29-31,33-35,37-38,50H,13,21-24H2,1-12H3,(H,45,52)(H,46,53)(H,47,51)/b27-14+,28-20+/t26-,29+,30-,31+,33+,34+,35-,37+,38-/m1/s1 |
| InChIKey | JUJXAYASADIXIM-OTCQREOTSA-N |
| Literature Reference Author | Y.NAKAO,W.Y.YOSHIDA,Y.TAKADA,J.KIMURA,L.YANG,S.L.MOOBERRY,P. J.SCHEUER |
| Literature Reference Citation | J.NAT.PROD.,67,1332(2004) |
| Literature Reference DOI | 10.1021/np049949f |
| Molecular Weight | 826.043 g/mol |
| Solvent | CD2Cl2 |
| Source File Reference | UWMZ7484 |