| SpectraBase Compound ID | KDQcPcHTgYi |
|---|---|
| InChI | InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h5,15-16,18-24,28-29H,6-14H2,1-4H3/t15-,16-,18-,19+,20-,21-,22-,23+,24-,25-,26+,27+/m0/s1 |
| InChIKey | XWCNCRAHMRTGCU-ZFXWTAABSA-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 | 5jXZRtfb7oO |
|---|---|
| Name | ISOCHIAPAGENIN=(25R)-SPIROST-5-EN-3-BETA,12-BETA-DIOL |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H42O4 |
| InChI | InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h5,15-16,18-24,28-29H,6-14H2,1-4H3/t15-,16-,18-,19+,20-,21-,22-,23+,24-,25-,26+,27+/m0/s1 |
| InChIKey | XWCNCRAHMRTGCU-ZFXWTAABSA-N |
| Literature Reference Author | F.COLL,A.PREISS,G.PADRON,M.BASTERECHEA,G.ADAM |
| Literature Reference Citation | PHYTOCHEM.,22,787(1983) |
| Literature Reference DOI | 10.1016/S0031-9422(00)86990-3 |
| Molecular Weight | 430.628 g/mol |
| Solvent | CDCl3:CD3OD=1:1 |
| Source File Reference | UNIW17053 |