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3-OXO-CHOLEST-1,4-DIEN-20-BETA-OL

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3-OXO-CHOLEST-1,4-DIEN-20-BETA-OL
SpectraBase Compound ID GNjba1X9OnI
InChI InChI=1S/C27H42O2/c1-18(2)7-6-14-27(5,29)24-11-10-22-21-9-8-19-17-20(28)12-15-25(19,3)23(21)13-16-26(22,24)4/h12,15,17-18,21-24,29H,6-11,13-14,16H2,1-5H3/t21-,22-,23-,24-,25-,26-,27?/m0/s1
InChIKey WMDGXFZDXZIJRB-NQPCHBBOSA-N
Mol Weight 398.6 g/mol
Molecular Formula C27H42O2
Exact Mass 398.318481 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9zjKZsDemaZ
Name 3-OXO-CHOLEST-1,4-DIEN-20-BETA-OL
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H42O2
InChI InChI=1S/C27H42O2/c1-18(2)7-6-14-27(5,29)24-11-10-22-21-9-8-19-17-20(28)12-15-25(19,3)23(21)13-16-26(22,24)4/h12,15,17-18,21-24,29H,6-11,13-14,16H2,1-5H3/t21-,22-,23-,24-,25-,26-,27?/m0/s1
InChIKey WMDGXFZDXZIJRB-NQPCHBBOSA-N
Literature Reference Author K.SHIN,J.CHIN,D.HAHN,J.LEE,H.HWANG,D.H.WON,J.HAM,H.CHOI,E.KA NG,H.KIM,M.K.JU,S.J.
Literature Reference Citation STEROIDS,77,355(2012)
Literature Reference DOI 10.1016/j.steroids.2011.12.027
Molecular Weight 398.629 g/mol
Sample ID 70555
Solvent CDCl3