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(-)-(7R,8S)-SIMULANOL

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(-)-(7R,8S)-SIMULANOL
SpectraBase Compound ID 4tGLmZ8uzJ9
InChI InChI=1S/C21H24O7/c1-25-16-9-13(10-17(26-2)19(16)24)20-15(11-23)14-7-12(5-4-6-22)8-18(27-3)21(14)28-20/h4-5,7-10,15,20,22-24H,6,11H2,1-3H3/b5-4+/t15-,20+/m1/s1
InChIKey SGRRPSBKBJVKJE-SQBHOSFOSA-N
Mol Weight 388.42 g/mol
Molecular Formula C21H24O7
Exact Mass 388.152203 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lb0HOD16NCd
Name (-)-(7R,8S)-SIMULANOL
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H24O7
InChI InChI=1S/C21H24O7/c1-25-16-9-13(10-17(26-2)19(16)24)20-15(11-23)14-7-12(5-4-6-22)8-18(27-3)21(14)28-20/h4-5,7-10,15,20,22-24H,6,11H2,1-3H3/b5-4+/t15-,20+/m1/s1
InChIKey SGRRPSBKBJVKJE-SQBHOSFOSA-N
Literature Reference Author Y.P.YANG,M.J.CHENG,C.M.TENG,Y.L.CHANG,I.L.TSAI,I.S.CHEN
Literature Reference Citation PHYTOCHEM.,61,567(2002)
Literature Reference DOI 10.1016/S0031-9422(02)00268-6
Molecular Weight 388.417 g/mol
Solvent CDCl3
Source File Reference UWLU29411