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15-Acetoxy-7-oxodehydroabietic acid
SpectraBase Compound ID CKIisSVKTlG
InChI InChI=1S/C22H28O5/c1-13(23)27-20(2,3)14-7-8-16-15(11-14)17(24)12-18-21(16,4)9-6-10-22(18,5)19(25)26/h7-8,11,18H,6,9-10,12H2,1-5H3,(H,25,26)/t18?,21-,22-/m1/s1
InChIKey MVSNOMINTBGJOH-IPKCRJEZSA-N
Mol Weight 372.46 g/mol
Molecular Formula C22H28O5
Exact Mass 372.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A91uvKqdbwO
Name 15-Acetoxy-7-oxodehydroabietic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O5
InChI InChI=1S/C22H28O5/c1-13(23)27-20(2,3)14-7-8-16-15(11-14)17(24)12-18-21(16,4)9-6-10-22(18,5)19(25)26/h7-8,11,18H,6,9-10,12H2,1-5H3,(H,25,26)/t18?,21-,22-/m1/s1
InChIKey MVSNOMINTBGJOH-IPKCRJEZSA-N
Molecular Weight 372.461 g/mol
SMILES OC([C@]1(C2[C@@](c3c(cc(C(OC(=O)C)(C)C)cc3)C(C2)=O)(CCC1)C)C)=O
SPLASH splash10-0udi-0296000000-a1912db0a143b0b17fb2
Source of Spectrum E2-52-862-1
Synonyms (1R,4aS)-7-(2-acetyloxypropan-2-yl)-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid (1R,4aS)-7-(1-acetoxy-1-methyl-ethyl)-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid (1R,4aS)-7-(2-acetyloxypropan-2-yl)-1,4a-dimethyl-9-oxidanylidene-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid
Wiley ID 1556528