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#5C;(1S,4A-R,5S,8A-R)-5-[2'-(9'',10''-DIOXO-1'',4'',4A'',9'',9A'',10''-HEXHYDRHYL)-ETHYL]-1,4A-DIMETHYL-6-METHYLENE-DECAHYDRONAPHTHALENE-1-CARBOXYLIC-ACID-METHYLESTER

View entire compound with spectra: 1 NMR

#5C;(1S,4A-R,5S,8A-R)-5-[2'-(9'',10''-DIOXO-1'',4'',4A'',9'',9A'',10''-HEXHYDRHYL)-ETHYL]-1,4A-DIMETHYL-6-METHYLENE-DECAHYDRONAPHTHALENE-1-CARBOXYLIC-ACID-METHYLESTER
SpectraBase Compound ID KQtcseQVn0P
InChI InChI=1S/C31H38O4/c1-19-10-15-26-30(2,16-7-17-31(26,3)29(34)35-4)25(19)14-12-20-11-13-23-24(18-20)28(33)22-9-6-5-8-21(22)27(23)32/h5-6,8-9,11,23-26H,1,7,10,12-18H2,2-4H3/t23?,24?,25-,26+,30+,31-/m0/s1
InChIKey YMDBGDFMXCMDEJ-HNUHQIEMSA-N
Mol Weight 474.6 g/mol
Molecular Formula C31H38O4
Exact Mass 474.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KjWjxsgRgtB
Name #5C;(1S,4A-R,5S,8A-R)-5-[2'-(9'',10''-DIOXO-1'',4'',4A'',9'',9A'',10''-HEXHYDRHYL)-ETHYL]-1,4A-DIMETHYL-6-METHYLENE-DECAHYDRONAPHTHALENE-1-CARBOXYLIC-ACID-METHYLESTER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H38O4
InChI InChI=1S/C31H38O4/c1-19-10-15-26-30(2,16-7-17-31(26,3)29(34)35-4)25(19)14-12-20-11-13-23-24(18-20)28(33)22-9-6-5-8-21(22)27(23)32/h5-6,8-9,11,23-26H,1,7,10,12-18H2,2-4H3/t23?,24?,25-,26+,30+,31-/m0/s1
InChIKey YMDBGDFMXCMDEJ-HNUHQIEMSA-N
Literature Reference Author J.M.M.D.CORRAL,M.GORDALIZA,M.A.CASTRO,M.M.MAHIQUES,P.CHAMORR O,A.MOLINARI,M.D.GAR
Literature Reference Citation J.MED.CHEM.,44,1257(2001)
Literature Reference DOI 10.1021/jm001048q
Molecular Weight 474.640 g/mol
Sample ID 44489
Solvent CDCl3