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TOPSENTISTEROL_A1;5-ALPHA,8-ALPHA-EPIDIOXY-26,27-CYCLO-24,27-DIMETHYLCHOLEST-6-EN-3-BETA-OL
SpectraBase Compound ID EECO9NU9wjB
InChI InChI=1S/C29H46O3/c1-18(22-16-20(22)3)6-7-19(2)23-8-9-24-26(23,4)12-11-25-27(5)13-10-21(30)17-28(27)14-15-29(24,25)32-31-28/h14-15,18-25,30H,6-13,16-17H2,1-5H3/t18-,19+,20-,21-,22+,23+,24+,25+,26+,27+,28+,29-/m0/s1
InChIKey NGJBTKPYHONYDO-XQHFXTGWSA-N
Mol Weight 442.7 g/mol
Molecular Formula C29H46O3
Exact Mass 442.344695 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ilitbp1TBre
Name TOPSENTISTEROL_A1;5-ALPHA,8-ALPHA-EPIDIOXY-26,27-CYCLO-24,27-DIMETHYLCHOLEST-6-EN-3-BETA-OL
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H46O3
InChI InChI=1S/C29H46O3/c1-18(22-16-20(22)3)6-7-19(2)23-8-9-24-26(23,4)12-11-25-27(5)13-10-21(30)17-28(27)14-15-29(24,25)32-31-28/h14-15,18-25,30H,6-13,16-17H2,1-5H3/t18-,19+,20-,21-,22+,23+,24+,25+,26+,27+,28+,29-/m0/s1
InChIKey NGJBTKPYHONYDO-XQHFXTGWSA-N
Literature Reference Author X.LUO,F.LI,P.B.SHINDE,J.HONG,C.O.LEE,K.S.IM,J.H.JUNG
Literature Reference Citation J.NAT.PROD.,69,1760(2006)
Literature Reference DOI 10.1021/np0604026
Molecular Weight 442.682 g/mol
Solvent CD3OD
Source File Reference UWMZ17631