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ISOPELLYNOL-A

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ISOPELLYNOL-A
SpectraBase Compound ID DVKuZZfxUPl
InChI InChI=1S/C33H52O3/c1-2-3-27-32(35)28-23-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-24-29-33(36)30-25-22-26-31-34/h1,3-4,6,27,32-36H,5,7-21,23-24,28-29,31H2/b6-4-,27-3-/t32-,33?/m1/s1
InChIKey XBKWTWBPTSNTKX-PRVUVWNCSA-N
Mol Weight 496.8 g/mol
Molecular Formula C33H52O3
Exact Mass 496.391646 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1sKy0YSl33P
Name ISOPELLYNOL-A
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H52O3
InChI InChI=1S/C33H52O3/c1-2-3-27-32(35)28-23-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-24-29-33(36)30-25-22-26-31-34/h1,3-4,6,27,32-36H,5,7-21,23-24,28-29,31H2/b6-4-,27-3-/t32-,33?/m1/s1
InChIKey XBKWTWBPTSNTKX-PRVUVWNCSA-N
Literature Reference Author A.F.GABRIEL,Z.LI,R.KUSUDA,C.TANAKA,T.MIYAMOTO
Literature Reference Citation CHEM.PHARM.BULL.,63,469(2015)
Literature Reference DOI 10.1248/cpb.c15-00203
Molecular Weight 496.774 g/mol
Solvent CDCl3
Source File Reference UWPA10072