| SpectraBase Compound ID | 9qXlItpxWcw |
|---|---|
| InChI | InChI=1S/C27H44O5/c1-14-7-8-27(31-13-14)15(2)24-22(32-27)10-19-17-6-5-16-9-20(28)21(29)12-25(16,3)18(17)11-23(30)26(19,24)4/h14-24,28-30H,5-13H2,1-4H3/t14-,15+,16-,17-,18+,19+,20-,21+,22+,23-,24+,25+,26-,27+/m1/s1 |
| InChIKey | IZSOKVKTMKUCGT-JUZCAABNSA-N |
| Mol Weight | 448.6 g/mol |
| Molecular Formula | C27H44O5 |
| Exact Mass | 448.318875 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CH0OIAEZVZj |
|---|---|
| Name | 12-BETA-HYDROXY-SAMOGENIN;5-BETA-(25R)-SPIROSTAN-2-BETA,3-BETA,12-BETA-TRIOL |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H44O5 |
| InChI | InChI=1S/C27H44O5/c1-14-7-8-27(31-13-14)15(2)24-22(32-27)10-19-17-6-5-16-9-20(28)21(29)12-25(16,3)18(17)11-23(30)26(19,24)4/h14-24,28-30H,5-13H2,1-4H3/t14-,15+,16-,17-,18+,19+,20-,21+,22+,23-,24+,25+,26-,27+/m1/s1 |
| InChIKey | IZSOKVKTMKUCGT-JUZCAABNSA-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 | 448.643 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU27651 |