| SpectraBase Compound ID | LCXXkF3GmEu |
|---|---|
| InChI | InChI=1S/C25H31NO6/c1-2-3-4-5-11-23(29)26-12-7-9-19-16-21-15-18(27)14-20(31-21)13-17-8-6-10-22(28)24(17)25(30)32-19/h3-8,10-12,18-21,27-28H,2,9,13-16H2,1H3,(H,26,29)/b4-3-,11-5-,12-7-/t18-,19+,20+,21-/m1/s1 |
| InChIKey | MVOORUCGKRDJFW-BNYPQSBLSA-N |
| Mol Weight | 441.52 g/mol |
| Molecular Formula | C25H31NO6 |
| Exact Mass | 441.215138 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1khcBa8FFRA |
|---|---|
| Name | (17-Z)-APICULAREN_A |
| Compound Number | 2A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H31NO6 |
| InChI | InChI=1S/C25H31NO6/c1-2-3-4-5-11-23(29)26-12-7-9-19-16-21-15-18(27)14-20(31-21)13-17-8-6-10-22(28)24(17)25(30)32-19/h3-8,10-12,18-21,27-28H,2,9,13-16H2,1H3,(H,26,29)/b4-3-,11-5-,12-7-/t18-,19+,20+,21-/m1/s1 |
| InChIKey | MVOORUCGKRDJFW-BNYPQSBLSA-N |
| Literature Reference Author | L.JUNDT,G.HOEFLE |
| Literature Reference Citation | J.NAT.PROD.,70,1377(2007) |
| Literature Reference DOI | 10.1021/np070098w |
| Molecular Weight | 441.524 g/mol |
| Sample ID | 31458 |
| Solvent | ACETONE-D6 |