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3,15-dioxo-18-nor-ent-ros-4-ene-16-carboxylic acid methyl ester
SpectraBase Compound ID BEkictKT6Pd
InChI InChI=1S/C20H28O4/c1-12-14-6-5-13-11-19(2,17(22)18(23)24-4)9-10-20(13,3)15(14)7-8-16(12)21/h13,15H,5-11H2,1-4H3/t13-,15-,19-,20-/m1/s1
InChIKey XTGUIVRLKGYGEY-PRLQIQRYSA-N
Mol Weight 332.44 g/mol
Molecular Formula C20H28O4
Exact Mass 332.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DYd4H6EoE2J
Name 3,15-dioxo-18-nor-ent-ros-4-ene-16-carboxylic acid methyl ester
Alternate Name(s) Methyl[(2R,4aR,4bS,10aR)-2,4a,8-trimethyl-7-oxo-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-2-phenanthrenyl](oxo)acetate
CAS Registry Number 119769-56-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O4
InChI InChI=1S/C20H28O4/c1-12-14-6-5-13-11-19(2,17(22)18(23)24-4)9-10-20(13,3)15(14)7-8-16(12)21/h13,15H,5-11H2,1-4H3/t13-,15-,19-,20-/m1/s1
InChIKey XTGUIVRLKGYGEY-PRLQIQRYSA-N
Molecular Weight 332.440 g/mol
SMILES C=12[C@]([C@@]3(CC[C@](C[C@]3(CC2)[H])(C(C(=O)OC)=O)C)C)(CCC(C1C)=O)[H]
SPLASH splash10-0a4i-5942000000-08476003d14e0b618512
Source of Spectrum J-54-4524-4
Wiley ID 1329620