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acetic acid [(1R,4aR,4bS,8aR,10aR)-7-formyl-10-keto-1,4a,8-trimethyl-3,4,4b,5,6,8a,9,10a-octahydro-2H-phenanthren-1-yl]methyl ester

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acetic acid [(1R,4aR,4bS,8aR,10aR)-7-formyl-10-keto-1,4a,8-trimethyl-3,4,4b,5,6,8a,9,10a-octahydro-2H-phenanthren-1-yl]methyl ester
SpectraBase Compound ID J6OROLzuftI
InChI InChI=1S/C21H30O4/c1-13-15(11-22)6-7-17-16(13)10-18(24)19-20(3,12-25-14(2)23)8-5-9-21(17,19)4/h11,16-17,19H,5-10,12H2,1-4H3/t16-,17-,19-,20-,21+/m0/s1
InChIKey NSFZNZUBLBMNLD-JZTRKIHISA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID rpvuSnvobI
Name acetic acid [(1R,4aR,4bS,8aR,10aR)-7-formyl-10-keto-1,4a,8-trimethyl-3,4,4b,5,6,8a,9,10a-octahydro-2H-phenanthren-1-yl]methyl ester
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-13-15(11-22)6-7-17-16(13)10-18(24)19-20(3,12-25-14(2)23)8-5-9-21(17,19)4/h11,16-17,19H,5-10,12H2,1-4H3/t16-,17-,19-,20-,21+/m0/s1
InChIKey NSFZNZUBLBMNLD-JZTRKIHISA-N
Literature Reference Author D.TORRES-MENDOZA,L.D.U.GONZALEZ,E.ORTEGA-BARRIA,P.D.COLEY,T. A.KURSAR,T.L.CAPSON,
Literature Reference Citation J.NAT.PROD.,67,1711(2004)
Literature Reference DOI 10.1021/np049890c
Molecular Weight 346.467 g/mol
Solvent CDCl3