| SpectraBase Compound ID | FxSAES9BKSW |
|---|---|
| InChI | InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17+,18-,19+,20?,21?,22?,23?,24?,25?,26?,27-/m1/s1 |
| InChIKey | GMBQZIIUCVWOCD-WAAXVYLNSA-N |
| Mol Weight | 416.6 g/mol |
| Molecular Formula | C27H44O3 |
| Exact Mass | 416.329045 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5GiD0m6ehzN |
|---|---|
| Name | SMILAGENIN;(25-ALPHA-F)-5-BETA-SPIROSTAN-3-BETA-OL |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H44O3 |
| InChI | InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17+,18-,19+,20?,21?,22?,23?,24?,25?,26?,27-/m1/s1 |
| InChIKey | GMBQZIIUCVWOCD-WAAXVYLNSA-N |
| Literature Reference Author | P.K.AGRAWAL,P.BUNSAWANSONG,G.A.MORRIS |
| Literature Reference Citation | MAGN.RES.CHEM.,35,441(1997) |
| Literature Reference DOI | 10.1002/(sici)1097-458x(199707)35:7<441::aid-omr104>3.0.co;2-q |
| Molecular Weight | 416.645 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ984 |