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#7D;(1S,4A-R,5S,8A-R)-5-[2'-(5'',8''-DIACETOXY-2'',3''-EPOXY-1'',2'',3'',4''-TETRAHYDRONAPHTHALEN-2''-YL)-ETHYL]-1,4A-DIMETHYL-6-METHYLENE-DECAHYDRONAPHTHALENE-1-CARBOX
SpectraBase Compound ID JthNiwJBI5y
InChI InChI=1S/C31H40O7/c1-18-8-11-26-29(4,13-7-14-30(26,5)28(34)35-6)23(18)12-15-31-17-22-21(16-27(31)38-31)24(36-19(2)32)9-10-25(22)37-20(3)33/h9-10,23,26-27H,1,7-8,11-17H2,2-6H3/t23-,26+,27?,29+,30-,31?/m0/s1
InChIKey HYAGMOKDQMDPTI-SAHFIPOQSA-N
Mol Weight 524.7 g/mol
Molecular Formula C31H40O7
Exact Mass 524.277404 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID SaVXxXHuj4
Name #7D;(1S,4A-R,5S,8A-R)-5-[2'-(5'',8''-DIACETOXY-2'',3''-EPOXY-1'',2'',3'',4''-TETRAHYDRONAPHTHALEN-2''-YL)-ETHYL]-1,4A-DIMETHYL-6-METHYLENE-DECAHYDRONAPHTHALENE-1-CARBOX
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H40O7
InChI InChI=1S/C31H40O7/c1-18-8-11-26-29(4,13-7-14-30(26,5)28(34)35-6)23(18)12-15-31-17-22-21(16-27(31)38-31)24(36-19(2)32)9-10-25(22)37-20(3)33/h9-10,23,26-27H,1,7-8,11-17H2,2-6H3/t23-,26+,27?,29+,30-,31?/m0/s1
InChIKey HYAGMOKDQMDPTI-SAHFIPOQSA-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 524.654 g/mol
Sample ID 44480
Solvent CDCl3