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20-R-HYDROXYPREGNA-4,6-DIENE-3,12-DIONE

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20-R-HYDROXYPREGNA-4,6-DIENE-3,12-DIONE
SpectraBase Compound ID 8kVt93HOAg7
InChI InChI=1S/C21H28O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)18(15)11-19(24)21(16,17)3/h4-5,10,12,15-18,22H,6-9,11H2,1-3H3/t12-,15-,16+,17-,18-,20-,21+/m0/s1
InChIKey AXIMAQIOARWDAI-OBFSYJISSA-N
Mol Weight 328.45 g/mol
Molecular Formula C21H28O3
Exact Mass 328.203845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Zfl8U7njYy
Name 20-R-HYDROXYPREGNA-4,6-DIENE-3,12-DIONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28O3
InChI InChI=1S/C21H28O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)18(15)11-19(24)21(16,17)3/h4-5,10,12,15-18,22H,6-9,11H2,1-3H3/t12-,15-,16+,17-,18-,20-,21+/m0/s1
InChIKey AXIMAQIOARWDAI-OBFSYJISSA-N
Literature Reference Author L.BAI,L.WANG,M.ZHAO,A.TOKI,T.HASEGAWA,T.KATAOKA,K.HIROSE,J.S AKAI,J.BAI,M
Literature Reference Citation J.NAT.PROD.,70,14(2007)
Literature Reference DOI 10.1021/np068030o
Molecular Weight 328.452 g/mol
Sample ID 29469
Solvent CDCl3