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TOPSENTINOL_L
SpectraBase Compound ID paCLChvQun
InChI InChI=1S/C30H52O3/c1-17(2)20(18(3)4)9-8-19(5)22-10-11-23-21-14-26(31)25-15-27(32)28(33)16-30(25,7)24(21)12-13-29(22,23)6/h8-9,17-28,31-33H,10-16H2,1-7H3/b9-8+/t19-,21+,22-,23+,24+,25-,26+,27+,28+,29-,30-/m1/s1
InChIKey MGKVYQJGHXHGTN-KQQFGPOKSA-N
Mol Weight 460.7 g/mol
Molecular Formula C30H52O3
Exact Mass 460.391646 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4BOsczPQRTP
Name TOPSENTINOL_L
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H52O3
InChI InChI=1S/C30H52O3/c1-17(2)20(18(3)4)9-8-19(5)22-10-11-23-21-14-26(31)25-15-27(32)28(33)16-30(25,7)24(21)12-13-29(22,23)6/h8-9,17-28,31-33H,10-16H2,1-7H3/b9-8+/t19-,21+,22-,23+,24+,25-,26+,27+,28+,29-,30-/m1/s1
InChIKey MGKVYQJGHXHGTN-KQQFGPOKSA-N
Literature Reference Author J.DAI,A.SORRIBAS,W.Y.YOSHIDA,M.KELLY,P.G.WILLIAMS
Literature Reference Citation J.NAT.PROD.,73,1597(2010)
Literature Reference DOI 10.1021/np100374b
Molecular Weight 460.741 g/mol
Sample ID 36195
Solvent CD3OD