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(1R)-1-ACETONYL-3-OXO-5,10-SECOCHOLEST-10(19)-EN-5-ALPHA-YL-ACETATE
SpectraBase Compound ID J9zhXvc1Qqo
InChI InChI=1S/C32H52O4/c1-20(2)9-8-10-21(3)30-13-14-31-29-12-11-27(36-24(6)34)19-26(35)18-25(17-22(4)33)23(5)28(29)15-16-32(30,31)7/h20-21,25,27-31H,5,8-19H2,1-4,6-7H3/t21?,25-,27+,28?,29?,30-,31?,32-/m1/s1
InChIKey MCVSZGWFJJJXFC-AGIKOMHXSA-N
Mol Weight 500.8 g/mol
Molecular Formula C32H52O4
Exact Mass 500.38656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 57ApwrYCQk6
Name (1R)-1-ACETONYL-3-OXO-5,10-SECOCHOLEST-10(19)-EN-5-ALPHA-YL-ACETATE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H52O4
InChI InChI=1S/C32H52O4/c1-20(2)9-8-10-21(3)30-13-14-31-29-12-11-27(36-24(6)34)19-26(35)18-25(17-22(4)33)23(5)28(29)15-16-32(30,31)7/h20-21,25,27-31H,5,8-19H2,1-4,6-7H3/t21?,25-,27+,28?,29?,30-,31?,32-/m1/s1
InChIKey MCVSZGWFJJJXFC-AGIKOMHXSA-N
Literature Reference Author L.B.LORENC,V.D.PAVLOVIC,N.M.KRSTIC,M.L.MIHAILOVIC
Literature Reference Citation HELV.CHIM.ACTA,76,2254(1993)
Literature Reference DOI 10.1002/hlca.19930760610
Molecular Weight 500.762 g/mol
Solvent CDCl3
Source File Reference UWVP6723