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TOPSENTISTEROL_C3;(22-E,24-S)-6-O-METHYL-24-METHYLCHOLESTA-7,22-DIENE-3-BETA,5-ALPHA,6-BETA,9-ALPHA-TETROL
SpectraBase Compound ID EegauFdwJpz
InChI InChI=1S/C29H48O4/c1-18(2)19(3)8-9-20(4)22-10-11-23-24-16-25(33-7)29(32)17-21(30)12-13-27(29,6)28(24,31)15-14-26(22,23)5/h8-9,16,18-23,25,30-32H,10-15,17H2,1-7H3/b9-8+/t19-,20+,21-,22+,23-,25+,26+,27+,28+,29-/m0/s1
InChIKey ZHBXGHWSDHVEKS-OMYNKOJXSA-N
Mol Weight 460.7 g/mol
Molecular Formula C29H48O4
Exact Mass 460.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1AdQagZW9rk
Name TOPSENTISTEROL_C3;(22-E,24-S)-6-O-METHYL-24-METHYLCHOLESTA-7,22-DIENE-3-BETA,5-ALPHA,6-BETA,9-ALPHA-TETROL
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H48O4
InChI InChI=1S/C29H48O4/c1-18(2)19(3)8-9-20(4)22-10-11-23-24-16-25(33-7)29(32)17-21(30)12-13-27(29,6)28(24,31)15-14-26(22,23)5/h8-9,16,18-23,25,30-32H,10-15,17H2,1-7H3/b9-8+/t19-,20+,21-,22+,23-,25+,26+,27+,28+,29-/m0/s1
InChIKey ZHBXGHWSDHVEKS-OMYNKOJXSA-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 460.698 g/mol
Solvent CD3OD
Source File Reference UWMZ17636