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#13;(1-S,4A-R,5-S,6-R,8A-R)-5-[2'-(5'',8''-DIACETOXY-NAPHTHALEN-2''-YL)-ETHYL]-6-HYDROXYMETHYL-1,4A-DIMETHYL-DECAHYDRO-NAPHTHALENE-1-CARBOXYLIC-ACID-METHYLESTER
SpectraBase Compound ID HJct5GNM3U0
InChI InChI=1S/C31H40O7/c1-19(33)37-26-12-13-27(38-20(2)34)24-17-21(7-10-23(24)26)8-11-25-22(18-32)9-14-28-30(25,3)15-6-16-31(28,4)29(35)36-5/h7,10,12-13,17,22,25,28,32H,6,8-9,11,14-16,18H2,1-5H3/t22-,25+,28-,30-,31+/m1/s1
InChIKey COJQHTPGYFPFFE-ZCKNXVKFSA-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 8hRyWZJMjjQ
Name #13;(1-S,4A-R,5-S,6-R,8A-R)-5-[2'-(5'',8''-DIACETOXY-NAPHTHALEN-2''-YL)-ETHYL]-6-HYDROXYMETHYL-1,4A-DIMETHYL-DECAHYDRO-NAPHTHALENE-1-CARBOXYLIC-ACID-METHYLESTER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H40O7
InChI InChI=1S/C31H40O7/c1-19(33)37-26-12-13-27(38-20(2)34)24-17-21(7-10-23(24)26)8-11-25-22(18-32)9-14-28-30(25,3)15-6-16-31(28,4)29(35)36-5/h7,10,12-13,17,22,25,28,32H,6,8-9,11,14-16,18H2,1-5H3/t22-,25+,28-,30-,31+/m1/s1
InChIKey COJQHTPGYFPFFE-ZCKNXVKFSA-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 44486
Solvent CDCl3