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TOPSENTISTEROL_A2
SpectraBase Compound ID CoE2zOqgEjG
InChI InChI=1S/C29H48O3/c1-18(2)21(5)19(3)16-20(4)23-8-9-24-26(23,6)12-11-25-27(7)13-10-22(30)17-28(27)14-15-29(24,25)32-31-28/h14-15,18-25,30H,8-13,16-17H2,1-7H3/t19-,20-,21+,22+,23-,24-,25-,26?,27?,28-,29+/m1/s1
InChIKey ZCQZIDOFCDVBNA-ZWBKFUDTSA-N
Mol Weight 444.7 g/mol
Molecular Formula C29H48O3
Exact Mass 444.360345 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CD5HOLZJCoZ
Name TOPSENTISTEROL_A2
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H48O3
InChI InChI=1S/C29H48O3/c1-18(2)21(5)19(3)16-20(4)23-8-9-24-26(23,6)12-11-25-27(7)13-10-22(30)17-28(27)14-15-29(24,25)32-31-28/h14-15,18-25,30H,8-13,16-17H2,1-7H3/t19-,20-,21+,22+,23-,24-,25-,26?,27?,28-,29+/m1/s1
InChIKey ZCQZIDOFCDVBNA-ZWBKFUDTSA-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 444.698 g/mol
Solvent CD3OD
Source File Reference UWMZ17632