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20-BETA,21-DIHYDROXYPREGNA-4,6-DIEN-3-ONE
SpectraBase Compound ID 3WW2hEn1Szj
InChI InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h3-4,11,15-19,22,24H,5-10,12H2,1-2H3/t15?,16?,17?,18-,19+,20+,21+/m1/s1
InChIKey JBBQODJWAVJGOY-YSDARJMYSA-N
Mol Weight 330.47 g/mol
Molecular Formula C21H30O3
Exact Mass 330.219495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FRinPWK06bT
Name 20-BETA,21-DIHYDROXYPREGNA-4,6-DIEN-3-ONE
Compound Number 1 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30O3
InChI InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h3-4,11,15-19,22,24H,5-10,12H2,1-2H3/t15?,16?,17?,18-,19+,20+,21+/m1/s1
InChIKey JBBQODJWAVJGOY-YSDARJMYSA-N
Literature Reference Author M.C.ROY,F.R.CHANG,H.C.HUANG,M.Y.N.CHIANG,Y.C.WU
Literature Reference Citation J.NAT.PROD.,68,1494(2005)
Literature Reference DOI 10.1021/np0501740
Molecular Weight 330.467 g/mol
Solvent CDCl3
Source File Reference UWMZ13211