| SpectraBase Compound ID | IhPsMV7NRB6 |
|---|---|
| InChI | InChI=1S/C27H42O4/c1-16-23-22(30-27(16)12-11-24(2,15-28)31-27)14-21-19-6-5-17-13-18(29)7-9-25(17,3)20(19)8-10-26(21,23)4/h5,16,18-23,28-29H,6-15H2,1-4H3/t16-,18-,19+,20-,21-,22-,23-,24-,25-,26-,27-/m0/s1 |
| InChIKey | NELZMZLNTYWIPD-MLBSDYKWSA-N |
| Mol Weight | 430.6 g/mol |
| Molecular Formula | C27H42O4 |
| Exact Mass | 430.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 24hngV3cVRd |
|---|---|
| Name | NUATIGENIN;(22S,25S)-22,25-EPOXYFUROST-5-ENE-3-BETA,26-DIOL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H42O4 |
| InChI | InChI=1S/C27H42O4/c1-16-23-22(30-27(16)12-11-24(2,15-28)31-27)14-21-19-6-5-17-13-18(29)7-9-25(17,3)20(19)8-10-26(21,23)4/h5,16,18-23,28-29H,6-15H2,1-4H3/t16-,18-,19+,20-,21-,22-,23-,24-,25-,26-,27-/m0/s1 |
| InChIKey | NELZMZLNTYWIPD-MLBSDYKWSA-N |
| Literature Reference Author | Y.MIMAKI,O.NAKAMURA,Y.SASHIDA,T.NIKAIDO,T.OHMOTO |
| Literature Reference Citation | PHYTOCHEM.,38,1279(1995) |
| Literature Reference DOI | 10.1016/0031-9422(94)00790-Z |
| Molecular Weight | 430.628 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS3973 |