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4A,1-(TRANS)-8-METHOXY-6-METHYL-2,3,4,4A,9,9A-HEXAHYDRO-1H-XANTHENE-1-OL;TRANS-ISOMER
SpectraBase Compound ID 9HIcfDkZmm1
InChI InChI=1S/2C15H20O3/c2*1-9-6-14(17-2)11-8-10-12(16)4-3-5-13(10)18-15(11)7-9/h2*6-7,10,12-13,16H,3-5,8H2,1-2H3/t2*10-,12-,13+/m00/s1
InChIKey IBPDBKOXSMMJAQ-WPDWHNDESA-N
Mol Weight 496.64 g/mol
Molecular Formula C30H40O6
Exact Mass 496.282489 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1ucVG2A2arN
Name 4A,1-(TRANS)-8-METHOXY-6-METHYL-2,3,4,4A,9,9A-HEXAHYDRO-1H-XANTHENE-1-OL;TRANS-ISOMER
Compound Number 100
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H40O6
InChI InChI=1S/2C15H20O3/c2*1-9-6-14(17-2)11-8-10-12(16)4-3-5-13(10)18-15(11)7-9/h2*6-7,10,12-13,16H,3-5,8H2,1-2H3/t2*10-,12-,13+/m00/s1
InChIKey IBPDBKOXSMMJAQ-WPDWHNDESA-N
Literature Reference Author A.C.MEISTER,A.ENCINAS,H.SAHIN,E.M.C.SINGER,C.F.NISING,M.NIEG ER,S.BRAESE
Literature Reference Citation EUR.J.ORG.CHEM.,2014,4861(2014)
Literature Reference DOI 10.1002/ejoc.201402083
Molecular Weight 496.644 g/mol
Solvent CDCl3
Source File Reference UWIR19924