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1,8-(S),39-(R)-TRIHYDROXY-HENTETRACONTA-23-(Z),37-(E)-DIENE-2,4,6,40-TETRAYNE

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1,8-(S),39-(R)-TRIHYDROXY-HENTETRACONTA-23-(Z),37-(E)-DIENE-2,4,6,40-TETRAYNE
SpectraBase Compound ID 6kDcgISOXDY
InChI InChI=1S/C41H64O3/c1-2-40(43)36-32-28-25-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26-29-33-37-41(44)38-34-30-27-31-35-39-42/h1,3-4,32,36,40-44H,5-26,28-29,33,37,39H2/b4-3-,36-32+/t40-,41-/m0/s1
InChIKey WYHSSCOYSRHYHR-SRKUOHHISA-N
Mol Weight 605.0 g/mol
Molecular Formula C41H64O3
Exact Mass 604.485546 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JqrihoJZEff
Name 1,8-(S),39-(R)-TRIHYDROXY-HENTETRACONTA-23-(Z),37-(E)-DIENE-2,4,6,40-TETRAYNE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H64O3
InChI InChI=1S/C41H64O3/c1-2-40(43)36-32-28-25-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26-29-33-37-41(44)38-34-30-27-31-35-39-42/h1,3-4,32,36,40-44H,5-26,28-29,33,37,39H2/b4-3-,36-32+/t40-,41-/m0/s1
InChIKey WYHSSCOYSRHYHR-SRKUOHHISA-N
Literature Reference Author J.R.DAI,Y.F.HALLOCK,J.H.CARDELLINA,G.N.GRAY,M.R.BOYD
Literature Reference Citation J.NAT.PROD.,59,860(1996)
Literature Reference DOI 10.1021/np960366i
Molecular Weight 604.957 g/mol
Solvent CDCl3
Source File Reference UWRK815