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3-BETA,4-ALPHA-DIHYDROXYPREGNAN-16-ONE
SpectraBase Compound ID 7kN139tUlAL
InChI InChI=1S/C21H34O3/c1-12(22)14-6-7-15-13-4-5-17-19(24)18(23)9-11-21(17,3)16(13)8-10-20(14,15)2/h13-19,23-24H,4-11H2,1-3H3/t13-,14+,15-,16-,17-,18-,19-,20+,21+/m0/s1
InChIKey DOPNAZPVNCZMLH-MVRROARJSA-N
Mol Weight 334.5 g/mol
Molecular Formula C21H34O3
Exact Mass 334.250795 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DI1bm7bskAQ
Name 3-BETA,4-ALPHA-DIHYDROXYPREGNAN-16-ONE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H34O3
InChI InChI=1S/C21H34O3/c1-12(22)14-6-7-15-13-4-5-17-19(24)18(23)9-11-21(17,3)16(13)8-10-20(14,15)2/h13-19,23-24H,4-11H2,1-3H3/t13-,14+,15-,16-,17-,18-,19-,20+,21+/m0/s1
InChIKey DOPNAZPVNCZMLH-MVRROARJSA-N
Literature Reference Author X.N.WANG,C.Q.FAN,S.YIN,L.S.GAN,J.M.YUE
Literature Reference Citation PHYTOCHEM.,69,1319(2008)
Literature Reference DOI 10.1016/j.phytochem.2008.01.018
Molecular Weight 334.499 g/mol
Sample ID 44030
Solvent CDCl3