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(1R,4S,5S,9S,1'R,4'R)-9-HYDROXY-1-(4'-HYDROXY-1',5'-DIMETHYLHEXYL)-4-METHYLSPIRO-[4.5]-DEC-7-ENE-8-CARBOXYLIC ACID (METHYLESTER)

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(1R,4S,5S,9S,1'R,4'R)-9-HYDROXY-1-(4'-HYDROXY-1',5'-DIMETHYLHEXYL)-4-METHYLSPIRO-[4.5]-DEC-7-ENE-8-CARBOXYLIC ACID (METHYLESTER)
SpectraBase Compound ID 94be5jvqWtL
InChI InChI=1S/C21H36O4/c1-13(2)18(22)9-6-14(3)17-8-7-15(4)21(17)11-10-16(19(23)12-21)20(24)25-5/h10,13-15,17-19,22-23H,6-9,11-12H2,1-5H3/t14-,15+,17?,18-,19+,21+/m1/s1
InChIKey XPCAEPWERCDOLA-COKPZBFESA-N
Mol Weight 352.5 g/mol
Molecular Formula C21H36O4
Exact Mass 352.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 73VSA7ptp7Y
Name (1R,4S,5S,9S,1'R,4'R)-9-HYDROXY-1-(4'-HYDROXY-1',5'-DIMETHYLHEXYL)-4-METHYLSPIRO-[4.5]-DEC-7-ENE-8-CARBOXYLIC ACID (METHYLESTER)
Compound Number 622
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H36O4/c1-13(2)18(22)9-6-14(3)17-8-7-15(4)21(17)11-10-16(19(23)12-21)20(24)25-5/h10,13-15,17-19,22-23H,6-9,11-12H2,1-5H3/t14-,15+,17?,18-,19+,21+/m1/s1
InChIKey XPCAEPWERCDOLA-COKPZBFESA-N
Literature Reference A.UR-RAHMAN,V.U.AHMAD NAT.PROD.VOL.2
Solvent Chloroform-d