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12-Methoxy-abietaa-8,11,13-trien-3-one
SpectraBase Compound ID IyNE2pvw1BG
InChI InChI=1S/C21H30O2/c1-13(2)15-11-14-7-8-18-20(3,4)19(22)9-10-21(18,5)16(14)12-17(15)23-6/h11-13,18H,7-10H2,1-6H3/t18?,21-/m1/s1
InChIKey AEJKGOPTGKZBGN-BDPMCISCSA-N
Mol Weight 314.47 g/mol
Molecular Formula C21H30O2
Exact Mass 314.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FzYpPbxxpVn
Name 12-Methoxy-abietaa-8,11,13-trien-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O2
InChI InChI=1S/C21H30O2/c1-13(2)15-11-14-7-8-18-20(3,4)19(22)9-10-21(18,5)16(14)12-17(15)23-6/h11-13,18H,7-10H2,1-6H3/t18?,21-/m1/s1
InChIKey AEJKGOPTGKZBGN-BDPMCISCSA-N
Molecular Weight 314.469 g/mol
SMILES [C@]12(c3c(cc(c(c3)OC)C(C)C)CCC1C(C)(C)C(CC2)=O)C
SPLASH splash10-03di-0096000000-074369dcc5c44bc12b91
Source of Spectrum X2-56-471-31
Wiley ID 1604838