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#11;[2S-(2-ALPHA-(7R*,8R*)-3A-ALPHA,4-BETA,7-BETA,7A-ALPHA)]-2-METHYL-8-[(OCTAHYDRO-7,8,8-TRIMETHYL-4,7-METHANOBENZOFURAN-2-YL)-OXY]-OCTADECAN-7-OL,4-METHYL
SpectraBase Compound ID IRsR47ecice
InChI InChI=1S/C38H64O5S/c1-8-9-10-11-12-13-14-15-19-33(41-35-27-31-32-25-26-38(7,36(31)42-35)37(32,5)6)34(20-17-16-18-28(2)3)43-44(39,40)30-23-21-29(4)22-24-30/h21-24,28,31-36H,8-20,25-27H2,1-7H3/t31-,32-,33-,34?,35-,36-,38+/m1/s1
InChIKey OIKFEBUEFVOTOC-IDFUYXSESA-N
Mol Weight 633.0 g/mol
Molecular Formula C38H64O5S
Exact Mass 632.447446 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DHgtcezdGkl
Name #11;[2S-(2-ALPHA-(7R*,8R*)-3A-ALPHA,4-BETA,7-BETA,7A-ALPHA)]-2-METHYL-8-[(OCTAHYDRO-7,8,8-TRIMETHYL-4,7-METHANOBENZOFURAN-2-YL)-OXY]-OCTADECAN-7-OL,4-METHYL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H64O5S
InChI InChI=1S/C38H64O5S/c1-8-9-10-11-12-13-14-15-19-33(41-35-27-31-32-25-26-38(7,36(31)42-35)37(32,5)6)34(20-17-16-18-28(2)3)43-44(39,40)30-23-21-29(4)22-24-30/h21-24,28,31-36H,8-20,25-27H2,1-7H3/t31-,32-,33-,34?,35-,36-,38+/m1/s1
InChIKey OIKFEBUEFVOTOC-IDFUYXSESA-N
Literature Reference Author C.R.NOE,M.KNOLLMUELLER,H.KUERNER,G.STEINBAUER,H.KOBERG,P.GAE RTNER
Literature Reference Citation MH.CHEM.,122,101(1991)
Literature Reference DOI 10.1007/BF00815171
Molecular Weight 632.983 g/mol
Solvent CDCl3
Source File Reference UWCS21035