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3α,21-dihydroxy-5β-pregnan-20-one, diacetate
SpectraBase Compound ID F5JINDbzk0F
InChI InChI=1S/C25H38O5/c1-15(26)29-14-23(28)22-8-7-20-19-6-5-17-13-18(30-16(2)27)9-11-24(17,3)21(19)10-12-25(20,22)4/h17-22H,5-14H2,1-4H3/t17-,18-,19+,20+,21+,22-,24+,25+/m1/s1
InChIKey AELZDZIWKOZSSW-YVDGILBISA-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 EZqtAAmRYrO
Name 3-ALPHA,21-DIACETOXY-5-BETA-PREGNAN-20-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H38O5
InChI InChI=1S/C25H38O5/c1-15(26)29-14-23(28)22-8-7-20-19-6-5-17-13-18(30-16(2)27)9-11-24(17,3)21(19)10-12-25(20,22)4/h17-22H,5-14H2,1-4H3/t17-,18-,19+,20+,21+,22-,24+,25+/m1/s1
InChIKey AELZDZIWKOZSSW-YVDGILBISA-N
Literature Reference Author A.M.SELDES,M.E.DELUCA,E.G.GROS
Literature Reference Citation MAGN.RES.CHEM.,24,185(1986)
Literature Reference DOI 10.1002/mrc.1260240302
Molecular Weight 418.574 g/mol
Solvent CDCl3
Source File Reference UNIW18350