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ACETYL-THEONELLASTEROL
SpectraBase Compound ID BsRQrcAJbcT
InChI InChI=1S/C32H52O2/c1-9-24(20(2)3)11-10-21(4)26-14-15-28-25-12-13-27-22(5)30(34-23(6)33)17-19-32(27,8)29(25)16-18-31(26,28)7/h20-21,24,26-27,29-30H,5,9-19H2,1-4,6-8H3/t21-,24+,26-,27+,29+,30+,31-,32+/m1/s1
InChIKey JLSWPWUBFIKCCQ-JNVQAEFZSA-N
Mol Weight 468.8 g/mol
Molecular Formula C32H52O2
Exact Mass 468.396731 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8moQGzFgunM
Name ACETYL-THEONELLASTEROL
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H52O2
InChI InChI=1S/C32H52O2/c1-9-24(20(2)3)11-10-21(4)26-14-15-28-25-12-13-27-22(5)30(34-23(6)33)17-19-32(27,8)29(25)16-18-31(26,28)7/h20-21,24,26-27,29-30H,5,9-19H2,1-4,6-8H3/t21-,24+,26-,27+,29+,30+,31-,32+/m1/s1
InChIKey JLSWPWUBFIKCCQ-JNVQAEFZSA-N
Literature Reference Author J.K.GUO,C.Y.CHIANG,M.C.LU,W.B.CHANG,J.H.SU
Literature Reference Citation MAR.DRUGS,10,1536(2012)
Literature Reference DOI 10.3390/md10071536
Molecular Weight 468.764 g/mol
Source File Reference UWIR5871