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Methyl 1R,2S,2'R,3R,4"R-2-(2'-Hydroxy-2'-(2"-(.delta.(2",3")-4"-hydroxy-4"-(1-methylethyl)-1"-oxocyclohexenyl)ethyl))-1,3-dimethyl-1-cyclohexylcarboxylate

View entire compound with spectra: 1 MS (GC)

Methyl 1R,2S,2'R,3R,4"R-2-(2'-Hydroxy-2'-(2"-(.delta.(2",3")-4"-hydroxy-4"-(1-methylethyl)-1"-oxocyclohexenyl)ethyl))-1,3-dimethyl-1-cyclohexylcarboxylate
SpectraBase Compound ID 23Kl3SrWt4b
InChI InChI=1S/C21H34O5/c1-13(2)21(25)10-8-17(22)15(12-21)18(23)11-16-14(3)7-6-9-20(16,4)19(24)26-5/h12-14,16,18,23,25H,6-11H2,1-5H3/t14-,16?,18+,20-,21+/m1/s1
InChIKey RZWAMZYSBSTMGI-PKONFMLCSA-N
Mol Weight 366.5 g/mol
Molecular Formula C21H34O5
Exact Mass 366.240624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HVtEZq5YrRN
Name Methyl 1R,2S,2'R,3R,4"R-2-(2'-Hydroxy-2'-(2"-(.delta.(2",3")-4"-hydroxy-4"-(1-methylethyl)-1"-oxocyclohexenyl)ethyl))-1,3-dimethyl-1-cyclohexylcarboxylate
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Formula C21H34O5
InChI InChI=1S/C21H34O5/c1-13(2)21(25)10-8-17(22)15(12-21)18(23)11-16-14(3)7-6-9-20(16,4)19(24)26-5/h12-14,16,18,23,25H,6-11H2,1-5H3/t14-,16?,18+,20-,21+/m1/s1
InChIKey RZWAMZYSBSTMGI-PKONFMLCSA-N
Molecular Weight 366.498 g/mol
SMILES O[C@@]1(C=C([C@](CC2[C@](C(=O)OC)(CCC[C@]2(C)[H])C)(O)[H])C(CC1)=O)C(C)C
SPLASH splash10-001i-0911000000-e3bd8f6de8025cff4f19
Source of Spectrum F-56-3898-13
Synonyms Methyl 1R,2S,2'R,3R,4''R-2-(2'-Hydroxy-2'-(2''-(.delta.(2'',3'')-4''-hydroxy-4''-(1-methylethyl)-1''-oxocyclohexenyl)ethyl))-1,3-dimethyl-1-cyclohexylcarboxylate
Wiley ID 857138