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3.beta.-Acetoxycholest-4-en-6-one
SpectraBase Compound ID 2ksyv7rKjM0
InChI InChI=1S/C29H46O3/c1-18(2)8-7-9-19(3)23-10-11-24-22-17-27(31)26-16-21(32-20(4)30)12-14-29(26,6)25(22)13-15-28(23,24)5/h16,18-19,21-25H,7-15,17H2,1-6H3/t19-,21+,22+,23-,24+,25+,28?,29?/m1/s1
InChIKey HTZDJVPKUOXQMG-SALTWLBISA-N
Mol Weight 442.7 g/mol
Molecular Formula C29H46O3
Exact Mass 442.344695 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CZSSqdnEcxG
Name 3-BETA-ACETOXY-CHOLEST-4-EN-6-ONE
Compound Number 6A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H46O3
InChI InChI=1S/C29H46O3/c1-18(2)8-7-9-19(3)23-10-11-24-22-17-27(31)26-16-21(32-20(4)30)12-14-29(26,6)25(22)13-15-28(23,24)5/h16,18-19,21-25H,7-15,17H2,1-6H3/t19-,21+,22+,23-,24+,25+,28?,29?/m1/s1
InChIKey HTZDJVPKUOXQMG-SALTWLBISA-N
Literature Reference Author N.DEIVE,J.RODRIGUEZ,C.JIMENEZ
Literature Reference Citation J.MED.CHEM.,44,2612(2001)
Literature Reference DOI 10.1021/jm010867n
Molecular Weight 442.682 g/mol
Sample ID 44664
Solvent CDCl3