SpectraBase Compound ID | 7mHuLQK77yM |
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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-YOIYJLTPSA-N |
Mol Weight | 416.6 g/mol |
Molecular Formula | C27H44O3 |
Exact Mass | 416.329045 g/mol |
SpectraBase Spectrum ID | 5ral00mWuH0 |
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Name | (25S)-5-ALPHA-SPIROSTAN-3-ALPHA-OL;3-EPI-NEOTIGOGENIN |
Compound Number | 5B |
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-YOIYJLTPSA-N |
Literature Reference Author | Y.MIMAKI,Y.TAKAASHI,M.KURODA,Y.SASHIDA |
Literature Reference Citation | PHYTOCHEM.,45,1229(1997) |
Literature Reference DOI | 10.1016/S0031-9422(97)00109-X |
Molecular Weight | 416.645 g/mol |
Solvent | C5D5N |
Source File Reference | UWSP518 |