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(9R,10R)-9-HYDROXY-10-BENZOYLOXY-3,6-HENEICOSADIYNE
SpectraBase Compound ID DNA6JPfyMhb
InChI InChI=1S/C28H40O3/c1-3-5-7-9-11-12-13-15-20-24-27(26(29)23-19-14-10-8-6-4-2)31-28(30)25-21-17-16-18-22-25/h16-18,21-22,26-27,29H,3-5,7,9-13,15,20,23-24H2,1-2H3/t26-,27-/m0/s1
InChIKey BRTBREMFPYJFHY-SVBPBHIXSA-N
Mol Weight 424.6 g/mol
Molecular Formula C28H40O3
Exact Mass 424.297745 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 21gxilPPxVq
Name (9R,10R)-9-HYDROXY-10-BENZOYLOXY-3,6-HENEICOSADIYNE
Comments ST
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C28H40O3
InChI InChI=1S/C28H40O3/c1-3-5-7-9-11-12-13-15-20-24-27(26(29)23-19-14-10-8-6-4-2)31-28(30)25-21-17-16-18-22-25/h16-18,21-22,26-27,29H,3-5,7,9-13,15,20,23-24H2,1-2H3/t26-,27-/m0/s1
InChIKey BRTBREMFPYJFHY-SVBPBHIXSA-N
Instrument Name Jeol FX-90
Literature Reference A.G.TOLSTIKOV, N.V.KHAKHALINA, L.V.SPIRIKHIN, L.M.KHALILOV, A.A.PANASENKO,V.N.ODINOKOV, G.A.TOLSTIKOV (1991) Zhurn.Org.Khim.(Russ. Lang.): v.27, N4, 792-798.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d