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STIZOPHYLLIN;2-BETA,3-ALPHA,12-BETA-TRIHYDROXY-PREGNA-4,7,16-TRIEN-20-ONE
SpectraBase Compound ID thlQHDZ6Df
InChI InChI=1S/C21H28O4/c1-11(22)14-6-7-15-13-5-4-12-8-17(23)18(24)10-20(12,2)16(13)9-19(25)21(14,15)3/h5-6,8,15-19,23-25H,4,7,9-10H2,1-3H3/t15-,16-,17-,18-,19+,20-,21+/m0/s1
InChIKey IWQKGRNFKYKJHS-SPKZCENISA-N
Mol Weight 344.45 g/mol
Molecular Formula C21H28O4
Exact Mass 344.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AgM46tB9Fps
Name STIZOPHYLLIN;2-BETA,3-ALPHA,12-BETA-TRIHYDROXY-PREGNA-4,7,16-TRIEN-20-ONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28O4
InChI InChI=1S/C21H28O4/c1-11(22)14-6-7-15-13-5-4-12-8-17(23)18(24)10-20(12,2)16(13)9-19(25)21(14,15)3/h5-6,8,15-19,23-25H,4,7,9-10H2,1-3H3/t15-,16-,17-,18-,19+,20-,21+/m0/s1
InChIKey IWQKGRNFKYKJHS-SPKZCENISA-N
Literature Reference Author N.RADULOVIC,D.N.QUANG,T.HASHIMOTO,M.NUKADA,M.TANAKA,Y.ASAKAW A
Literature Reference Citation CHEM.PHARM.BULL.,53,309(2005)
Literature Reference DOI 10.1248/cpb.53.309
Molecular Weight 344.451 g/mol
Sample ID 53905
Solvent CDCl3