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1,2-DIHYDRO-5-BETA,21-ALPHA-DIHYDROXY-21-METHYL-6-ALPHA,7-ALPHA-EPOXY-9,13,14-ORTHO-1-ALPHA-(33E-PENTADECENOATE)-RESINIFERONOL-36-OIC-ACID
SpectraBase Compound ID GT8gsVl3dhc
InChI InChI=1S/C36H54O9/c1-21(2)32-19-22(3)36-25-28(32)43-34(44-32,45-36)18-16-14-12-10-8-6-7-9-11-13-15-17-31(5,40)24-23(4)27(38)35(41,26(24)36)30(39)33(20-37)29(25)42-33/h16,18,22-26,28-30,37,39-41H,1,6-15,17,19-20H2,2-5H3/b18-16+/t22-,23?,24+,25?,26-,28-,29+,30-,31-,32-,33+,34-,35-,36-/m1/s1
InChIKey MWTHSQSNLZBUIN-KNVHETPESA-N
Mol Weight 630.8 g/mol
Molecular Formula C36H54O9
Exact Mass 630.376783 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8w0g6gUpJZp
Name 1,2-DIHYDRO-5-BETA,21-ALPHA-DIHYDROXY-21-METHYL-6-ALPHA,7-ALPHA-EPOXY-9,13,14-ORTHO-1-ALPHA-(33E-PENTADECENOATE)-RESINIFERONOL-36-OIC-ACID
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H54O9
InChI InChI=1S/C36H54O9/c1-21(2)32-19-22(3)36-25-28(32)43-34(44-32,45-36)18-16-14-12-10-8-6-7-9-11-13-15-17-31(5,40)24-23(4)27(38)35(41,26(24)36)30(39)33(20-37)29(25)42-33/h16,18,22-26,28-30,37,39-41H,1,6-15,17,19-20H2,2-5H3/b18-16+/t22-,23?,24+,25?,26-,28-,29+,30-,31-,32-,33+,34-,35-,36-/m1/s1
InChIKey MWTHSQSNLZBUIN-KNVHETPESA-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 630.819 g/mol
Solvent CDCl3
Source File Reference UWSI24325