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EXCOECARIOL-A;(6S,9S)-MEGASTIGMAN-4-ENE-9,11-DIOL-3-ONE
SpectraBase Compound ID GzmXWwPc2uV
InChI InChI=1S/C13H22O3/c1-9-6-11(16)7-13(3,8-14)12(9)5-4-10(2)15/h6,10,12,14-15H,4-5,7-8H2,1-3H3/t10-,12+,13+/m1/s1
InChIKey DVAWDJUTQNGTBH-WXHSDQCUSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ByWStG9DvUR
Name EXCOECARIOL-A;(6S,9S)-MEGASTIGMAN-4-ENE-9,11-DIOL-3-ONE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-9-6-11(16)7-13(3,8-14)12(9)5-4-10(2)15/h6,10,12,14-15H,4-5,7-8H2,1-3H3/t10-,12+,13+/m1/s1
InChIKey DVAWDJUTQNGTBH-WXHSDQCUSA-N
Literature Reference Author P.M.GIANG,P.T.SON,K.MATSUNAMI,H.OTSUKA
Literature Reference Citation CHEM.PHARM.BULL.,53,1600(2005)
Literature Reference DOI 10.1248/cpb.53.1600
Molecular Weight 226.316 g/mol
Sample ID 33234
Solvent CD3OD