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(3S,4AR,8AS)-6,7-DIMETHYL-3-[(R)-2'-OCTYLOXY]-4A,5,8,8A-TETRAHYDRO-1H-2-BENZOPYRAN-4(3H)-ONE
SpectraBase Compound ID BMQiisKTJtZ
InChI InChI=1S/C19H32O3/c1-5-6-7-8-9-15(4)22-19-18(20)17-11-14(3)13(2)10-16(17)12-21-19/h15-17,19H,5-12H2,1-4H3/t15-,16-,17-,19+/m1/s1
InChIKey AGIQMWJEGXAMSZ-MTNOOBJLSA-N
Mol Weight 308.5 g/mol
Molecular Formula C19H32O3
Exact Mass 308.235145 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LvMRigymlfZ
Name (3S,4AR,8AS)-6,7-DIMETHYL-3-[(R)-2'-OCTYLOXY]-4A,5,8,8A-TETRAHYDRO-1H-2-BENZOPYRAN-4(3H)-ONE
Compound Number 9C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H32O3
InChI InChI=1S/C19H32O3/c1-5-6-7-8-9-15(4)22-19-18(20)17-11-14(3)13(2)10-16(17)12-21-19/h15-17,19H,5-12H2,1-4H3/t15-,16-,17-,19+/m1/s1
InChIKey AGIQMWJEGXAMSZ-MTNOOBJLSA-N
Literature Reference Author C.A.I.CAPACCIO,O.VARELA
Literature Reference Citation J.ORG.CHEM.,66,8859(2001)
Literature Reference DOI 10.1021/jo0106896
Molecular Weight 308.461 g/mol
Solvent CDCl3
Source File Reference UWLU29141