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2-[14-(Methyl 12-methoxy-7-oxopodocarpa-8,11,13-trien-19-oate)]ethanoic acid
SpectraBase Compound ID HCF65VEqCR3
InChI InChI=1S/C21H28O5/c1-20-8-5-9-21(2,19(24)26-4)17(20)7-6-15-13(11-18(22)23)10-14(25-3)12-16(15)20/h10,12,17H,5-9,11H2,1-4H3,(H,22,23)/t17?,20-,21?/m1/s1
InChIKey QPXAJFOKMSXMDQ-TWMPVWRBSA-N
Mol Weight 360.45 g/mol
Molecular Formula C21H28O5
Exact Mass 360.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID iSwIuQas2H
Name 2-[14-(Methyl 12-methoxy-7-oxopodocarpa-8,11,13-trien-19-oate)]ethanoic acid
Comments Less than 3 mono-isotopic peaks
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Formula C21H28O5
InChI InChI=1S/C21H28O5/c1-20-8-5-9-21(2,19(24)26-4)17(20)7-6-15-13(11-18(22)23)10-14(25-3)12-16(15)20/h10,12,17H,5-9,11H2,1-4H3,(H,22,23)/t17?,20-,21?/m1/s1
InChIKey QPXAJFOKMSXMDQ-TWMPVWRBSA-N
Molecular Weight 360.450 g/mol
SMILES OC(Cc1c2c([C@@]3(C(C(C(=O)OC)(C)CCC3)CC2)C)cc(OC)c1)=O
SPLASH splash10-03dr-0059000000-33af494cc6dc503fcff4
Source of Spectrum F-56-4013-48
Synonyms (S)-8-Carboxymethyl-6-methoxy-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene-1-carboxylic acid methyl ester
Wiley ID 857299