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3-BETA,20S-DIACETOXY-5-ALPHA-PREGNAN-16-ONE
SpectraBase Compound ID 4NiKzuhyNlJ
InChI InChI=1S/C25H38O5/c1-14(29-15(2)26)23-22(28)13-21-19-7-6-17-12-18(30-16(3)27)8-10-24(17,4)20(19)9-11-25(21,23)5/h14,17-21,23H,6-13H2,1-5H3/t14?,17-,18-,19+,20-,21-,23-,24-,25-/m0/s1
InChIKey IFKLLGOKXDPGHV-GOKXPDAZSA-N
Mol Weight 418.6 g/mol
Molecular Formula C25H38O5
Exact Mass 418.271924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IyzYqbRupNP
Name 3-BETA,20S-DIACETOXY-5-ALPHA-PREGNAN-16-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H38O5
InChI InChI=1S/C25H38O5/c1-14(29-15(2)26)23-22(28)13-21-19-7-6-17-12-18(30-16(3)27)8-10-24(17,4)20(19)9-11-25(21,23)5/h14,17-21,23H,6-13H2,1-5H3/t14?,17-,18-,19+,20-,21-,23-,24-,25-/m0/s1
InChIKey IFKLLGOKXDPGHV-GOKXPDAZSA-N
Literature Reference Author A.INADA,M.KOBAYASHI,T.NAKANISHI
Literature Reference Citation CHEM.PHARM.BULL.,36,609(1988)
Literature Reference DOI 10.1248/cpb.36.609
Molecular Weight 418.574 g/mol
Solvent CDCl3
Source File Reference UWBK1007