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E,Z methyl 8-(12-isocopalen-15-yl)-3,7-dimethyl-2,6-octadienoates
SpectraBase Compound ID CrIIKYc0jtN
InChI InChI=1S/C31H50O2/c1-22(11-9-12-23(2)21-28(32)33-8)13-15-25-24(3)14-16-27-30(25,6)20-17-26-29(4,5)18-10-19-31(26,27)7/h11,14,21,25-27H,9-10,12-13,15-20H2,1-8H3/b22-11-,23-21+/t25-,26+,27+,30+,31+/m0/s1
InChIKey XPTWRZCAXFDQGL-NYUZRGBPSA-N
Mol Weight 454.7 g/mol
Molecular Formula C31H50O2
Exact Mass 454.381081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BCDKHOYTEQb
Name E,Z methyl 8-(12-isocopalen-15-yl)-3,7-dimethyl-2,6-octadienoates
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Formula C31H50O2
InChI InChI=1S/C31H50O2/c1-22(11-9-12-23(2)21-28(32)33-8)13-15-25-24(3)14-16-27-30(25,6)20-17-26-29(4,5)18-10-19-31(26,27)7/h11,14,21,25-27H,9-10,12-13,15-20H2,1-8H3/b22-11-,23-21+/t25-,26+,27+,30+,31+/m0/s1
InChIKey XPTWRZCAXFDQGL-NYUZRGBPSA-N
Molecular Weight 454.739 g/mol
SMILES [C@@]12([C@]([C@@]3(CCCC([C@]3(CC2)[H])(C)C)C)(CC=C([C@@]1(CC\C(=C/CC\C(=C\C(=O)OC)C)C)[H])C)[H])C
SPLASH splash10-00dl-0590000000-d46664f214c09223f5b5
Source of Spectrum F-44-2518-22
Synonyms Methyl (2E,6Z)-9-[(5beta,8alpha,9beta,10alpha,14alpha)-8,13-dimethylpodocarp-12-en-14-yl]-3,7-dimethyl-2,6-nonadienoate Methyl (E,Z)-8-(12-isocopalen-15-yl)-3,7-dimethyl-2,6-octadienoates(note plural name)
Wiley ID 1388943