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[(2R,4aR,6S,7S,8S,8aS)-8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[5,6-d][1,3]dioxin-7-yl] benzoate
SpectraBase Compound ID 2y2IY2idPRl
InChI InChI=1S/C21H22O7/c1-24-21-18(27-19(23)13-8-4-2-5-9-13)16(22)17-15(26-21)12-25-20(28-17)14-10-6-3-7-11-14/h2-11,15-18,20-22H,12H2,1H3/t15-,16+,17-,18+,20-,21+/m1/s1
InChIKey WHKUKOCUXSRSAR-OVDOOKCHSA-N
Mol Weight 386.4 g/mol
Molecular Formula C21H22O7
Exact Mass 386.136553 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Oin6NkE8sG
Name [(2R,4aR,6S,7S,8S,8aS)-8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[5,6-d][1,3]dioxin-7-yl] benzoate
Compound Number 71
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22O7
InChI InChI=1S/C21H22O7/c1-24-21-18(27-19(23)13-8-4-2-5-9-13)16(22)17-15(26-21)12-25-20(28-17)14-10-6-3-7-11-14/h2-11,15-18,20-22H,12H2,1H3/t15-,16+,17-,18+,20-,21+/m1/s1
InChIKey WHKUKOCUXSRSAR-OVDOOKCHSA-N
Literature Reference Author K.DAX,M.ALBERT,D.HAMMOND,C.ILLASZEWICZ,T.PURKARTHOFER,M.TSCH ERNER,H.WEBER
Literature Reference Citation MH.CHEM.,133,427(2002)
Literature Reference DOI 10.1007/s007060200019
Molecular Weight 386.401 g/mol
Solvent Unknown
Source File Reference UWKP11472