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12-Desoxy-6a-bromo-7-oxopodocarpa-8,11,13-trienoic acid
SpectraBase Compound ID 1b0mbKMAmN0
InChI InChI=1S/C17H19BrO3/c1-16-8-5-9-17(2,15(20)21)14(16)12(18)13(19)10-6-3-4-7-11(10)16/h3-4,6-7,12,14H,5,8-9H2,1-2H3,(H,20,21)/t12-,14+,16+,17-/m0/s1
InChIKey AJDGQCGRLDUUEG-JFOHDYCDSA-N
Mol Weight 351.24 g/mol
Molecular Formula C17H19BrO3
Exact Mass 350.051757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HMgjEgfo2AA
Name 12-Desoxy-6a-bromo-7-oxopodocarpa-8,11,13-trienoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19BrO3
InChI InChI=1S/C17H19BrO3/c1-16-8-5-9-17(2,15(20)21)14(16)12(18)13(19)10-6-3-4-7-11(10)16/h3-4,6-7,12,14H,5,8-9H2,1-2H3,(H,20,21)/t12-,14+,16+,17-/m0/s1
InChIKey AJDGQCGRLDUUEG-JFOHDYCDSA-N
Molecular Weight 351.240 g/mol
SMILES OC([C@@]1([C@]2([C@@](c3c(C(=O)[C@@]2(Br)[H])cccc3)(CCC1)C)[H])C)=O
SPLASH splash10-006t-0973000000-b6297de372fc4a740d3d
Source of Spectrum SK-26-4587-12
Synonyms (1S,4aS,10R,10aR)-10-bromo-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid (1S,4aS,10R,10aR)-10-bromanyl-1,4a-dimethyl-9-oxidanylidene-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid
Wiley ID 867499