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HOMAXISTEROL_A1;(22-E)-6-O-BUTYLCHOLESTA-7,22-DIENE-3-BETA,5-ALPHA,6-BETA-TRIOL
SpectraBase Compound ID CIiW7mMIXHU
InChI InChI=1S/C31H52O3/c1-7-8-18-34-28-19-24-26-13-12-25(22(4)11-9-10-21(2)3)29(26,5)16-15-27(24)30(6)17-14-23(32)20-31(28,30)33/h9,11,19,21-23,25-28,32-33H,7-8,10,12-18,20H2,1-6H3/b11-9+/t22-,23+,25-,26?,27?,28-,29-,30-,31+/m1/s1
InChIKey QLOAJHDVIXGFQK-LREBSCFDSA-N
Mol Weight 472.8 g/mol
Molecular Formula C31H52O3
Exact Mass 472.391646 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GUYIjRfYDpz
Name HOMAXISTEROL_A1;(22-E)-6-O-BUTYLCHOLESTA-7,22-DIENE-3-BETA,5-ALPHA,6-BETA-TRIOL
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H52O3
InChI InChI=1S/C31H52O3/c1-7-8-18-34-28-19-24-26-13-12-25(22(4)11-9-10-21(2)3)29(26,5)16-15-27(24)30(6)17-14-23(32)20-31(28,30)33/h9,11,19,21-23,25-28,32-33H,7-8,10,12-18,20H2,1-6H3/b11-9+/t22-,23+,25-,26?,27?,28-,29-,30-,31+/m1/s1
InChIKey QLOAJHDVIXGFQK-LREBSCFDSA-N
Literature Reference Author T.A.MANSOOR,J.HONG,C.O.LEE,S.J.BAE,K.S.IM,J.H.JUNG
Literature Reference Citation J.NAT.PROD.,68,331(2005)
Literature Reference DOI 10.1021/np0496690
Molecular Weight 472.752 g/mol
Solvent CD3OD
Source File Reference UWMZ7678