| SpectraBase Compound ID | 8kfJIDWddMm |
|---|---|
| InChI | InChI=1S/C48H74N12O14/c1-2-3-4-5-6-7-8-9-10-12-28-22-41(67)54-32(23-38(50)64)43(69)56-31(21-27-14-16-29(62)17-15-27)42(68)57-33(24-39(51)65)44(70)55-30(18-19-37(49)63)48(74)60-20-11-13-36(60)47(73)58-34(25-40(52)66)45(71)59-35(26-61)46(72)53-28/h14-17,28,30-36,61-62H,2-13,18-26H2,1H3,(H2,49,63)(H2,50,64)(H2,51,65)(H2,52,66)(H,53,72)(H,54,67)(H,55,70)(H,56,69)(H,57,68)(H,58,73)(H,59,71) |
| InChIKey | HNAPWDKFUSLFFE-UHFFFAOYSA-N |
| Mol Weight | 1043.2 g/mol |
| Molecular Formula | C48H74N12O14 |
| Exact Mass | 1042.544745 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IW3lbhwQrCi |
|---|---|
| Name | ITURIN-A2 |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H74N12O14 |
| InChI | InChI=1S/C48H74N12O14/c1-2-3-4-5-6-7-8-9-10-12-28-22-41(67)54-32(23-38(50)64)43(69)56-31(21-27-14-16-29(62)17-15-27)42(68)57-33(24-39(51)65)44(70)55-30(18-19-37(49)63)48(74)60-20-11-13-36(60)47(73)58-34(25-40(52)66)45(71)59-35(26-61)46(72)53-28/h14-17,28,30-36,61-62H,2-13,18-26H2,1H3,(H2,49,63)(H2,50,64)(H2,51,65)(H2,52,66)(H,53,72)(H,54,67)(H,55,70)(H,56,69)(H,57,68)(H,58,73)(H,59,71) |
| InChIKey | HNAPWDKFUSLFFE-UHFFFAOYSA-N |
| Literature Reference Author | S.HIRADATE,S.YOSHIDA,H.SUGIE,H.YADA,Y.FUJII |
| Literature Reference Citation | PHYTOCHEM.,61,693(2002) |
| Literature Reference DOI | 10.1016/S0031-9422(02)00365-5 |
| Molecular Weight | 1043.188 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU29438 |