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2,4-CIS-C-12,15-TRANS-BULLATANOCINONE

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2,4-CIS-C-12,15-TRANS-BULLATANOCINONE
SpectraBase Compound ID J0W2ZMEVo4H
InChI InChI=1S/C37H66O8/c1-3-4-5-6-7-8-12-15-18-31(39)35-23-24-36(45-35)33(41)21-20-32(40)34-22-19-29(43-34)16-13-10-9-11-14-17-30-26-28(25-27(2)38)37(42)44-30/h28-36,39-41H,3-26H2,1-2H3/t28-,29-,30+,31+,32+,33+,34+,35+,36+/m1/s1
InChIKey WAZNHZWSJGMXPS-LXJFJAFOSA-N
Mol Weight 638.9 g/mol
Molecular Formula C37H66O8
Exact Mass 638.475769 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FxgzLsSVOKO
Name 2,4-CIS-C-12,15-TRANS-BULLATANOCINONE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H66O8
InChI InChI=1S/C37H66O8/c1-3-4-5-6-7-8-12-15-18-31(39)35-23-24-36(45-35)33(41)21-20-32(40)34-22-19-29(43-34)16-13-10-9-11-14-17-30-26-28(25-27(2)38)37(42)44-30/h28-36,39-41H,3-26H2,1-2H3/t28-,29-,30+,31+,32+,33+,34+,35+,36+/m1/s1
InChIKey WAZNHZWSJGMXPS-LXJFJAFOSA-N
Literature Reference Author Z.M.GU,L.ZENG,J.L.MCLAUGHLIN
Literature Reference Citation HETEROCYCLES,41,229(1995)
Literature Reference DOI 10.3987/COM-94-6943
Molecular Weight 638.926 g/mol
Solvent CDCl3
Source File Reference UWCP2601