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(7S,11S,12R)-CYSTOKETAL-CHROMANE;MAJOR-STEREOISOMER
SpectraBase Compound ID HK7IoS3N9e4
InChI InChI=1S/C28H38O4/c1-19-15-21(29-7)16-20-9-12-26(5,31-23(19)20)18-22-17-25(4)10-8-11-27(25,6)28(30-22)14-13-24(2,3)32-28/h13-17H,8-12,18H2,1-7H3/t25-,26?,27-,28+/m0/s1
InChIKey XPZWLOIAFRRBHV-KCCLQJLHSA-N
Mol Weight 438.6 g/mol
Molecular Formula C28H38O4
Exact Mass 438.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AHgXRtWHdEF
Name (7S,11S,12R)-CYSTOKETAL-CHROMANE;MAJOR-STEREOISOMER
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H38O4
InChI InChI=1S/C28H38O4/c1-19-15-21(29-7)16-20-9-12-26(5,31-23(19)20)18-22-17-25(4)10-8-11-27(25,6)28(30-22)14-13-24(2,3)32-28/h13-17H,8-12,18H2,1-7H3/t25-,26?,27-,28+/m0/s1
InChIKey XPZWLOIAFRRBHV-KCCLQJLHSA-N
Literature Reference Author D.W.LAIRD,I.A.V.ALTENA
Literature Reference Citation PHYTOCHEM.,67,944(2006)
Literature Reference DOI 10.1016/j.phytochem.2006.03.011
Molecular Weight 438.607 g/mol
Sample ID 66225
Solvent CDCl3