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BENTHAMININ-1;4,7,11B-TRIMETHYL-1,2,3,4,4A,5,6,11B-OCTAHYDRO-10-OXA-CYCLOPEN-[B]-PHENANTHRENE-4-CARBOXYLIC-ACID-METHYESTER
SpectraBase Compound ID BvJOVGqSKbO
InChI InChI=1S/C21H26O3/c1-13-14-6-7-18-20(2,9-5-10-21(18,3)19(22)23-4)16(14)12-17-15(13)8-11-24-17/h8,11-12,18H,5-7,9-10H2,1-4H3/t18-,20-,21+/m1/s1
InChIKey ZWGUMZQPAPPDMV-NRSPTQNISA-N
Mol Weight 326.44 g/mol
Molecular Formula C21H26O3
Exact Mass 326.188195 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B6BjorX4qmd
Name BENTHAMININ-1;4,7,11B-TRIMETHYL-1,2,3,4,4A,5,6,11B-OCTAHYDRO-10-OXA-CYCLOPEN-[B]-PHENANTHRENE-4-CARBOXYLIC-ACID-METHYESTER
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H26O3
InChI InChI=1S/C21H26O3/c1-13-14-6-7-18-20(2,9-5-10-21(18,3)19(22)23-4)16(14)12-17-15(13)8-11-24-17/h8,11-12,18H,5-7,9-10H2,1-4H3/t18-,20-,21+/m1/s1
InChIKey ZWGUMZQPAPPDMV-NRSPTQNISA-N
Literature Reference Author R.A.DICKSON,P.J.HOUGHTON,P.J.HYLANDS
Literature Reference Citation PHYTOCHEM.,68,1436(2007)
Literature Reference DOI 10.1016/j.phytochem.2007.03.008
Molecular Weight 326.436 g/mol
Sample ID 62354
Solvent CDCl3