| SpectraBase Compound ID | 6OVyyVUE0Gf |
|---|---|
| InChI | InChI=1S/C27H42O4/c1-16-23-22(31-27(16)12-11-24(2,29)15-30-27)14-21-19-6-5-17-13-18(28)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 | NHBDEADLHQSGDF-VXAIHSGSSA-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 | DEltgI4imn |
|---|---|
| Name | ISONUATIGENIN;(25S)-SPIROST-5-ENE-3-BETA,25-DIOL |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H42O4 |
| InChI | InChI=1S/C27H42O4/c1-16-23-22(31-27(16)12-11-24(2,29)15-30-27)14-21-19-6-5-17-13-18(28)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 | NHBDEADLHQSGDF-VXAIHSGSSA-N |
| Literature Reference Author | A.ABDEL-AZIZ,K.BRAIN,G.BLUNDEN,T.CRABB,A.K.BASHIR |
| Literature Reference Citation | PHYTOCHEM.,29,1643(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)80138-7 |
| Molecular Weight | 430.628 g/mol |
| Solvent | Unknown |
| Source File Reference | UWLU32095 |