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#3;(+)-OROBANCHYL-ACETATE;(3A-S,4S,8B-S,E)-8,8-DIMETHYL-3-(((R)-4-METHYL-5-OXO-2,5-DIHYDROFURAN-2-YLOXY)-METHYLENE)-2-OXO-3,3A,4,5,6,7,8,8B-OCTAHYDRO-2H-INDENO

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#3;(+)-OROBANCHYL-ACETATE;(3A-S,4S,8B-S,E)-8,8-DIMETHYL-3-(((R)-4-METHYL-5-OXO-2,5-DIHYDROFURAN-2-YLOXY)-METHYLENE)-2-OXO-3,3A,4,5,6,7,8,8B-OCTAHYDRO-2H-INDENO
SpectraBase Compound ID 2MbiidVR1ms
InChI InChI=1S/C21H24O7/c1-10-8-14(27-19(10)23)25-9-13-15-17(26-11(2)22)12-6-5-7-21(3,4)16(12)18(15)28-20(13)24/h8-9,14-15,17-18H,5-7H2,1-4H3/b13-9+/t14-,15+,17-,18+/m1/s1
InChIKey DLRIUVHQJRZTMZ-CQMYTRALSA-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 3sg1Bhaem19
Name #3;(+)-OROBANCHYL-ACETATE;(3A-S,4S,8B-S,E)-8,8-DIMETHYL-3-(((R)-4-METHYL-5-OXO-2,5-DIHYDROFURAN-2-YLOXY)-METHYLENE)-2-OXO-3,3A,4,5,6,7,8,8B-OCTAHYDRO-2H-INDENO
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H24O7
InChI InChI=1S/C21H24O7/c1-10-8-14(27-19(10)23)25-9-13-15-17(26-11(2)22)12-6-5-7-21(3,4)16(12)18(15)28-20(13)24/h8-9,14-15,17-18H,5-7H2,1-4H3/b13-9+/t14-,15+,17-,18+/m1/s1
InChIKey DLRIUVHQJRZTMZ-CQMYTRALSA-N
Literature Reference Author X.XIE,K.YONEYAMA,D.KUSUMOTO,Y.YAMADA,T.YOKOTA,Y.TAKEUCHI,K.Y ONEYAMA
Literature Reference Citation PHYTOCHEM.,69,427(2008)
Literature Reference DOI 10.1016/j.phytochem.2007.07.017
Molecular Weight 388.417 g/mol
Sample ID 44222
Solvent CDCl3