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1,8-(S),29-(R)-TRIHYDROXY-HENTRIACONTA-17-(Z),27-(E)-DIENE-2,4,6,30-TETRAYNE
SpectraBase Compound ID EzyX13qpoyz
InChI InChI=1S/C31H44O3/c1-2-30(33)26-22-18-15-13-11-9-7-5-3-4-6-8-10-12-14-16-19-23-27-31(34)28-24-20-17-21-25-29-32/h1,4,6,22,26,30-34H,3,5,7-16,18-19,23,27,29H2/b6-4-,26-22+/t30-,31-/m0/s1
InChIKey RYOORYDDTFATPC-XOERQBCYSA-N
Mol Weight 464.7 g/mol
Molecular Formula C31H44O3
Exact Mass 464.329045 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JctxrozhlTj
Name 1,8-(S),29-(R)-TRIHYDROXY-HENTRIACONTA-17-(Z),27-(E)-DIENE-2,4,6,30-TETRAYNE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H44O3
InChI InChI=1S/C31H44O3/c1-2-30(33)26-22-18-15-13-11-9-7-5-3-4-6-8-10-12-14-16-19-23-27-31(34)28-24-20-17-21-25-29-32/h1,4,6,22,26,30-34H,3,5,7-16,18-19,23,27,29H2/b6-4-,26-22+/t30-,31-/m0/s1
InChIKey RYOORYDDTFATPC-XOERQBCYSA-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 464.689 g/mol
Solvent CDCl3
Source File Reference UWRK814