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3-BETA,8-BETA,12-BETA,14,17-PENTAHYDROXY-14-BETA,17-ALPHA-PREGN-5-EN-20-ONE
SpectraBase Compound ID HkkhmXumsYw
InChI InChI=1S/C21H32O6/c1-12(22)19(25)8-9-21(27)18(19,3)16(24)11-15-17(2)6-5-14(23)10-13(17)4-7-20(15,21)26/h4,14-16,23-27H,5-11H2,1-3H3/t14-,15+,16+,17-,18+,19-,20-,21+/m0/s1
InChIKey ATMZVVNNICECKQ-ZBAHZVPKSA-N
Mol Weight 380.5 g/mol
Molecular Formula C21H32O6
Exact Mass 380.219889 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ITWtOIg2mY8
Name 3-BETA,8,12-BETA,14,17-PENTAHYDROXY-14-BETA-17-ALPHA-PREGN-5-EN-20-ON
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H32O6
InChI InChI=1S/C21H32O6/c1-12(22)19(25)8-9-21(27)18(19,3)16(24)11-15-17(2)6-5-14(23)10-13(17)4-7-20(15,21)26/h4,14-16,23-27H,5-11H2,1-3H3/t14-,15+,16+,17-,18+,19-,20-,21+/m0/s1
InChIKey ATMZVVNNICECKQ-ZBAHZVPKSA-N
Literature Reference Author J.W.BLUNT,J.B.STOTHERS
Literature Reference Citation ORG.MAGN.RES.,9,439(1977)
Literature Reference DOI 10.1002/mrc.1270090802
Molecular Weight 380.481 g/mol
Solvent DMSO
Source File Reference UNIW83