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1,2-DIHYDRO-5-BETA-HYDROXY-21-METHYL-6-ALPHA,7-ALPHA-EPOXY-9,13,14-ORTHO-1-ALPHA-(33E-PENTADECENOATE)-RESINIFERONOL-36-OIC-ACID
SpectraBase Compound ID 9Zjf3opIXUt
InChI InChI=1S/C36H54O8/c1-21(2)32-19-23(4)36-26-29(32)42-34(43-32,44-36)18-16-14-12-10-8-6-7-9-11-13-15-17-22(3)25-24(5)28(38)35(40,27(25)36)31(39)33(20-37)30(26)41-33/h16,18,22-27,29-31,37,39-40H,1,6-15,17,19-20H2,2-5H3/b18-16+/t22?,23-,24?,25+,26?,27-,29-,30+,31-,32-,33+,34-,35-,36-/m1/s1
InChIKey LRUSLXOJTZXBCJ-SXWKCQHJSA-N
Mol Weight 614.8 g/mol
Molecular Formula C36H54O8
Exact Mass 614.381869 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7fYjsWInjIA
Name 1,2-DIHYDRO-5-BETA-HYDROXY-21-METHYL-6-ALPHA,7-ALPHA-EPOXY-9,13,14-ORTHO-1-ALPHA-(33E-PENTADECENOATE)-RESINIFERONOL-36-OIC-ACID
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H54O8
InChI InChI=1S/C36H54O8/c1-21(2)32-19-23(4)36-26-29(32)42-34(43-32,44-36)18-16-14-12-10-8-6-7-9-11-13-15-17-22(3)25-24(5)28(38)35(40,27(25)36)31(39)33(20-37)30(26)41-33/h16,18,22-27,29-31,37,39-40H,1,6-15,17,19-20H2,2-5H3/b18-16+/t22?,23-,24?,25+,26?,27-,29-,30+,31-,32-,33+,34-,35-,36-/m1/s1
InChIKey LRUSLXOJTZXBCJ-SXWKCQHJSA-N
Literature Reference Author W.HE,M.CIK,L.V.PUYVELDE,J.V.DUN,G.APPENDINO,A.LESAGE,I.V.D.L INDIN,J.E.LEYSEN,W.W
Literature Reference Citation BIOORG.MED.CHEM.,10,3245(2002)
Literature Reference DOI 10.1016/S0968-0896(02)00163-3
Molecular Weight 614.820 g/mol
Solvent CDCl3
Source File Reference UWSI24323