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Methyl-12-oxo-13-isocopalen-15-oate
SpectraBase Compound ID 5Y5F50WWUNY
InChI InChI=1S/C21H32O3/c1-13-14(22)12-16-20(4)10-7-9-19(2,3)15(20)8-11-21(16,5)17(13)18(23)24-6/h15-16H,7-12H2,1-6H3/t15?,16?,20-,21+/m1/s1
InChIKey MKQZLDFSPWCEJZ-XXZMUIKMSA-N
Mol Weight 332.5 g/mol
Molecular Formula C21H32O3
Exact Mass 332.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5nJLupdAnI7
Name Methyl-12-oxo-13-isocopalen-15-oate
CAS Registry Number 79191-24-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O3
InChI InChI=1S/C21H32O3/c1-13-14(22)12-16-20(4)10-7-9-19(2,3)15(20)8-11-21(16,5)17(13)18(23)24-6/h15-16H,7-12H2,1-6H3/t15?,16?,20-,21+/m1/s1
InChIKey MKQZLDFSPWCEJZ-XXZMUIKMSA-N
Molecular Weight 332.484 g/mol
SMILES [C@@]12(C(=C(C)C(CC2[C@@]2(CCCC(C2CC1)(C)C)C)=O)C(=O)OC)C
SPLASH splash10-0006-5940000000-409de6d903cd9cf6d0ee
Source of Spectrum J-46-4857-0
Synonyms Methyl (8alpha,10alpha)-8,13-dimethyl-12-oxopodocarp-13-ene-14-carboxylate Methyl 12-oxo-13-iso-copalen-15-oate3,4,4a,4b,5,6,7,8,8a,9,10,10a -dodecahydro-2,4b,8,8,10a-pentamethyl-phenanthrene-1-carboxylate
Wiley ID 1329776