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(24S)-24-Ethylcholesta-3.beta.,5.alpha.,6.alpha.-triol

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(24S)-24-Ethylcholesta-3.beta.,5.alpha.,6.alpha.-triol
SpectraBase Compound ID EsscnRnwqlZ
InChI InChI=1S/C29H52O3/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-16-26(31)29(32)17-21(30)12-15-28(29,6)25(22)13-14-27(23,24)5/h18-26,30-32H,7-17H2,1-6H3/t19-,20-,21+,22+,23-,24+,25+,26+,27-,28-,29+/m1/s1
InChIKey VGSSUFQMXBFFTM-RUEXPLNMSA-N
Mol Weight 448.7 g/mol
Molecular Formula C29H52O3
Exact Mass 448.391646 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2tpAvjcOjzl
Name (24S)-24-ETHYL-CHOLESTA-3-BETA,5-ALPHA,6-ALPHA-TRIOL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H52O3
InChI InChI=1S/C29H52O3/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-16-26(31)29(32)17-21(30)12-15-28(29,6)25(22)13-14-27(23,24)5/h18-26,30-32H,7-17H2,1-6H3/t19-,20-,21+,22+,23-,24+,25+,26+,27-,28-,29+/m1/s1
InChIKey VGSSUFQMXBFFTM-RUEXPLNMSA-N
Literature Reference Author B.DAS,S.P.RAO,K.V.N.S.SRINIVAS
Literature Reference Citation J.NAT.PROD.,56,2210(1993)
Literature Reference DOI 10.1021/np50102a032
Molecular Weight 448.730 g/mol
Solvent CDCl3:CD3OD;(FEW-DROPS)
Source File Reference UWCS15647