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(8-R)-3-BETA,8-DIHYDROXYPOLYPODA-13-E,17-E,21-TRIENE
SpectraBase Compound ID 5mBrqWtTwE6
InChI InChI=1S/C30H52O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-26-29(7)20-19-27(31)28(5,6)25(29)18-21-30(26,8)32/h12,14,16,25-27,31-32H,9-11,13,15,17-21H2,1-8H3/b23-14+,24-16+/t25-,26+,27-,29-,30+/m0/s1
InChIKey QGERZRKJXVVRQA-NJACTVBXSA-N
Mol Weight 444.7 g/mol
Molecular Formula C30H52O2
Exact Mass 444.396731 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CyrUyPT7uhI
Name (8-R)-3-BETA,8-DIHYDROXYPOLYPODA-13-E,17-E,21-TRIENE
CAS Registry Number 89362-84-5
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H52O2
InChI InChI=1S/C30H52O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-26-29(7)20-19-27(31)28(5,6)25(29)18-21-30(26,8)32/h12,14,16,25-27,31-32H,9-11,13,15,17-21H2,1-8H3/b23-14+,24-16+/t25-,26+,27-,29-,30+/m0/s1
InChIKey QGERZRKJXVVRQA-NJACTVBXSA-N
Literature Reference Author S.A.F.MORAD,C.SCHMIDT,B.BUECHELE,B.SCHNEIDER,M.WENZLER,T.SYR OVETS,T.SIMMET
Literature Reference Citation J.NAT.PROD.,74,1731(2011)
Literature Reference DOI 10.1021/np200161a
Molecular Weight 444.742 g/mol
Sample ID 39095
Solvent CDCl3