| SpectraBase Compound ID | 5XaKPZRhLS9 |
|---|---|
| InChI | InChI=1S/C27H44O4/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/h15-24,28-29H,5-14H2,1-4H3/t15-,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+,26-,27+/m1/s1 |
| InChIKey | BQNMOLSYHYSCMS-KVIJACNPSA-N |
| Mol Weight | 432.6 g/mol |
| Molecular Formula | C27H44O4 |
| Exact Mass | 432.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9qKMeiuUwBo |
|---|---|
| Name | 12-BETA-HYDROXYSMILAGENIN;5-BETA-(25R)-SPIROSTAN-3-BETA,12-BETA-DIOL |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H44O4 |
| InChI | InChI=1S/C27H44O4/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/h15-24,28-29H,5-14H2,1-4H3/t15-,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+,26-,27+/m1/s1 |
| InChIKey | BQNMOLSYHYSCMS-KVIJACNPSA-N |
| Literature Reference Author | K.NAKANO,Y.HARA,K.MURAKAMI,Y.TAKAISHI,T.TOMIMATSU |
| Literature Reference Citation | PHYTOCHEM.,30,1993(1991) |
| Literature Reference DOI | 10.1016/0031-9422(91)85054-4 |
| Molecular Weight | 432.644 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU27648 |