| SpectraBase Compound ID | KADSY5cSGeG |
|---|---|
| InChI | InChI=1S/C49H76N12O14/c1-27(2)11-8-6-4-3-5-7-9-12-29-22-42(68)55-33(23-39(51)65)44(70)57-32(21-28-14-16-30(63)17-15-28)43(69)58-34(24-40(52)66)45(71)56-31(18-19-38(50)64)49(75)61-20-10-13-37(61)48(74)59-35(25-41(53)67)46(72)60-36(26-62)47(73)54-29/h14-17,27,29,31-37,62-63H,3-13,18-26H2,1-2H3,(H2,50,64)(H2,51,65)(H2,52,66)(H2,53,67)(H,54,73)(H,55,68)(H,56,71)(H,57,70)(H,58,69)(H,59,74)(H,60,72) |
| InChIKey | VOKIDQKEGUPZBD-UHFFFAOYSA-N |
| Mol Weight | 1057.2 g/mol |
| Molecular Formula | C49H76N12O14 |
| Exact Mass | 1056.560395 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Av6IvzjCDh4 |
|---|---|
| Name | ITURIN-A4 |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H76N12O14 |
| InChI | InChI=1S/C49H76N12O14/c1-27(2)11-8-6-4-3-5-7-9-12-29-22-42(68)55-33(23-39(51)65)44(70)57-32(21-28-14-16-30(63)17-15-28)43(69)58-34(24-40(52)66)45(71)56-31(18-19-38(50)64)49(75)61-20-10-13-37(61)48(74)59-35(25-41(53)67)46(72)60-36(26-62)47(73)54-29/h14-17,27,29,31-37,62-63H,3-13,18-26H2,1-2H3,(H2,50,64)(H2,51,65)(H2,52,66)(H2,53,67)(H,54,73)(H,55,68)(H,56,71)(H,57,70)(H,58,69)(H,59,74)(H,60,72) |
| InChIKey | VOKIDQKEGUPZBD-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 | 1057.214 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU29440 |