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3-OXO-CHOLEST-1,4-DIEN-12-BETA-OL

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3-OXO-CHOLEST-1,4-DIEN-12-BETA-OL
SpectraBase Compound ID CrFbvh5qEMM
InChI InChI=1S/C27H42O2/c1-17(2)7-6-8-18(3)22-11-12-23-21-10-9-19-15-20(28)13-14-26(19,4)24(21)16-25(29)27(22,23)5/h13-15,17-18,21-25,29H,6-12,16H2,1-5H3/t18-,21+,22-,23+,24+,25-,26+,27-/m1/s1
InChIKey JJHNQAWMZPMISV-TXRKBUFDSA-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 KVyNh1htJsw
Name 3-OXO-CHOLEST-1,4-DIEN-12-BETA-OL
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H42O2
InChI InChI=1S/C27H42O2/c1-17(2)7-6-8-18(3)22-11-12-23-21-10-9-19-15-20(28)13-14-26(19,4)24(21)16-25(29)27(22,23)5/h13-15,17-18,21-25,29H,6-12,16H2,1-5H3/t18-,21+,22-,23+,24+,25-,26+,27-/m1/s1
InChIKey JJHNQAWMZPMISV-TXRKBUFDSA-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 70556
Solvent CDCl3