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TOPSENTISTEROL_D1;(24-R,25-R,27-R)-3-BETA-HYDROXY-26,27-CYCLO-24,27-DIMETHYLCHOLESTA-5,8-DIEN-7-ONE
SpectraBase Compound ID DwAaE123mC7
InChI InChI=1S/C29H44O2/c1-17(22-14-19(22)3)6-7-18(2)23-8-9-24-27-25(11-13-29(23,24)5)28(4)12-10-21(30)15-20(28)16-26(27)31/h16-19,21-24,30H,6-15H2,1-5H3/t17-,18-,19+,21+,22-,23-,24+,28+,29-/m1/s1
InChIKey RCOXCIVIRGPLSA-ZILADRMISA-N
Mol Weight 424.7 g/mol
Molecular Formula C29H44O2
Exact Mass 424.334131 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DPdoShKHDOb
Name TOPSENTISTEROL_D1;(24-R,25-R,27-R)-3-BETA-HYDROXY-26,27-CYCLO-24,27-DIMETHYLCHOLESTA-5,8-DIEN-7-ONE
Compound Number 24
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H44O2
InChI InChI=1S/C29H44O2/c1-17(22-14-19(22)3)6-7-18(2)23-8-9-24-27-25(11-13-29(23,24)5)28(4)12-10-21(30)15-20(28)16-26(27)31/h16-19,21-24,30H,6-15H2,1-5H3/t17-,18-,19+,21+,22-,23-,24+,28+,29-/m1/s1
InChIKey RCOXCIVIRGPLSA-ZILADRMISA-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 424.667 g/mol
Solvent CD3OD
Source File Reference UWMZ17644