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(1-S,4A-R,5-S,8A-R)-5-[2'-(5'',8''-DIACETOXY-1'',4''-DIHYDRONAPHTHALEN-2''-YL)-ETHYL]-1,4A-DIMETHYL-6-METHYLENE-DECAHYDRONAPHTHALENE-1-CARBOXYLIC-ACID

View entire compound with spectra: 1 NMR

(1-S,4A-R,5-S,8A-R)-5-[2'-(5'',8''-DIACETOXY-1'',4''-DIHYDRONAPHTHALEN-2''-YL)-ETHYL]-1,4A-DIMETHYL-6-METHYLENE-DECAHYDRONAPHTHALENE-1-CARBOXYLIC-ACID
SpectraBase Compound ID 91fdKFTh5A1
InChI InChI=1S/C30H38O6/c1-18-7-14-27-29(4,15-6-16-30(27,5)28(33)34)24(18)11-9-21-8-10-22-23(17-21)26(36-20(3)32)13-12-25(22)35-19(2)31/h8,12-13,24,27H,1,6-7,9-11,14-17H2,2-5H3,(H,33,34)/t24-,27+,29+,30-/m0/s1
InChIKey QVTQITKVBODDRD-SHJVSMSRSA-N
Mol Weight 494.6 g/mol
Molecular Formula C30H38O6
Exact Mass 494.266839 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4B8lGiFIud0
Name (1-S,4A-R,5-S,8A-R)-5-[2'-(5'',8''-DIACETOXY-1'',4''-DIHYDRONAPHTHALEN-2''-YL)-ETHYL]-1,4A-DIMETHYL-6-METHYLENE-DECAHYDRONAPHTHALENE-1-CARBOXYLIC-ACID
Compound Number 1B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H38O6
InChI InChI=1S/C30H38O6/c1-18-7-14-27-29(4,15-6-16-30(27,5)28(33)34)24(18)11-9-21-8-10-22-23(17-21)26(36-20(3)32)13-12-25(22)35-19(2)31/h8,12-13,24,27H,1,6-7,9-11,14-17H2,2-5H3,(H,33,34)/t24-,27+,29+,30-/m0/s1
InChIKey QVTQITKVBODDRD-SHJVSMSRSA-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 494.628 g/mol
Sample ID 44467
Solvent CDCl3