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Methyl RO15 - 7 - oxo - dehydroabietate

View entire compound with spectra: 1 MS (GC)

Methyl RO15 - 7 - oxo - dehydroabietate
SpectraBase Compound ID 9e5ryL6kczq
InChI InChI=1S/C21H26O3/c1-13(2)14-7-8-16-15(11-14)17(22)12-18-20(16,3)9-6-10-21(18,4)19(23)24-5/h7-8,11,18H,1,6,9-10,12H2,2-5H3/t18-,20-,21-/m1/s1
InChIKey TUJDKMJATINSHC-HMXCVIKNSA-N
Mol Weight 326.44 g/mol
Molecular Formula C21H26O3
Exact Mass 326.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5z15XYagfXZ
Name Methyl RO15 - 7 - oxo - dehydroabietate
Alternate Name(s) Methyl (4beta)-7-oxoabieta-8,11,13,15(17)-tetraen-18-oate Methyl 7-oxo-abieta-8,11,13,15-tetraen-18-oate
CAS Registry Number 53655-47-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O3
InChI InChI=1S/C21H26O3/c1-13(2)14-7-8-16-15(11-14)17(22)12-18-20(16,3)9-6-10-21(18,4)19(23)24-5/h7-8,11,18H,1,6,9-10,12H2,2-5H3/t18-,20-,21-/m1/s1
InChIKey TUJDKMJATINSHC-HMXCVIKNSA-N
Molecular Weight 326.436 g/mol
SMILES [C@]12([C@@](c3ccc(cc3C(C2)=O)C(=C)C)(CCC[C@]1(C(=O)OC)C)C)[H]
SPLASH splash10-004i-0339000000-38630570d997a8725b11
Source of Spectrum Va-0-0-0
Wiley ID 740186