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2.alpha.,3.beta.,12.beta.-Trihydroxy-pregna-4,7,16-trien-20-one
SpectraBase Compound ID LMkK8RpMS0S
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-KQFCJCSDSA-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 I9513UXAG94
Name 2-ALPHA,3-BETA,12-BETA-TRIHYDROXY-PREGNA-4,7,16-TRIEN-20-ONE
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-KQFCJCSDSA-N
Literature Reference Author C.Y.DUH,J.M.PEZZUTO,A.D.KINGHORN,S.L.LEUNG,N.R.FARNSWORTH
Literature Reference Citation J.NAT.PROD.,50,63(1987)
Literature Reference DOI 10.1021/np50049a010
Molecular Weight 344.451 g/mol
Solvent CDCl3
Source File Reference UWBK292