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(1.alpha.,2.beta.,4a.beta.,4b.alpha.,10a.alpha.)-1-Ethenyl-2-methyl-7-oxo-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-2-phenanthrene-carboxylic Acid

View entire compound with spectra: 1 MS (GC)

(1.alpha.,2.beta.,4a.beta.,4b.alpha.,10a.alpha.)-1-Ethenyl-2-methyl-7-oxo-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-2-phenanthrene-carboxylic Acid
SpectraBase Compound ID KuzVR7iQqcf
InChI InChI=1S/C18H24O3/c1-3-16-15-6-4-11-10-12(19)5-7-13(11)14(15)8-9-18(16,2)17(20)21/h3,10,13-16H,1,4-9H2,2H3,(H,20,21)/t13-,14+,15+,16-,18-/m0/s1
InChIKey UTDHPYHDSXLVFJ-QXUSFIETSA-N
Mol Weight 288.39 g/mol
Molecular Formula C18H24O3
Exact Mass 288.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CUtvogbv1hk
Name (1.alpha.,2.beta.,4a.beta.,4b.alpha.,10a.alpha.)-1-Ethenyl-2-methyl-7-oxo-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-2-phenanthrene-carboxylic Acid
Alternate Name(s) (1S,2S,4aS,4bR,10aR)-2-methyl-7-oxo-1-vinyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-2-phenanthrenecarboxylic acid
CAS Registry Number 126724-88-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24O3
InChI InChI=1S/C18H24O3/c1-3-16-15-6-4-11-10-12(19)5-7-13(11)14(15)8-9-18(16,2)17(20)21/h3,10,13-16H,1,4-9H2,2H3,(H,20,21)/t13-,14+,15+,16-,18-/m0/s1
InChIKey UTDHPYHDSXLVFJ-QXUSFIETSA-N
Molecular Weight 288.387 g/mol
SMILES OC([C@@]1([C@]([C@@]2(CCC=3[C@@]([C@]2(CC1)[H])(CCC(=O)C3)[H])[H])(C=C)[H])C)=O
SPLASH splash10-000i-0090000000-0776b09ceb85b697d96a
Source of Spectrum J-55-3956-12
Wiley ID 1291971