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(+/-)-(4bS,8aR,10aS)-Methyl 6-cyano-4b,8,8,10a-tetramethyl-3,7-dioxo-3,4b,7,8,8a,9,10,10a-octahydrophenanthrene-2-carboxylate

View entire compound with spectra: 1 MS (GC)

(+/-)-(4bS,8aR,10aS)-Methyl 6-cyano-4b,8,8,10a-tetramethyl-3,7-dioxo-3,4b,7,8,8a,9,10,10a-octahydrophenanthrene-2-carboxylate
SpectraBase Compound ID 7bQjnyig3v3
InChI InChI=1S/C21H23NO4/c1-19(2)15-6-7-20(3)10-13(18(25)26-5)14(23)8-16(20)21(15,4)9-12(11-22)17(19)24/h8-10,15H,6-7H2,1-5H3/t15-,20-,21-/m0/s1
InChIKey KJTMTSFLOUDCBH-JHVJFLLYSA-N
Mol Weight 353.42 g/mol
Molecular Formula C21H23NO4
Exact Mass 353.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6eloDruPzBD
Name (+/-)-(4bS,8aR,10aS)-Methyl 6-cyano-4b,8,8,10a-tetramethyl-3,7-dioxo-3,4b,7,8,8a,9,10,10a-octahydrophenanthrene-2-carboxylate
Appearance Crystalline solid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23NO4
InChI InChI=1S/C21H23NO4/c1-19(2)15-6-7-20(3)10-13(18(25)26-5)14(23)8-16(20)21(15,4)9-12(11-22)17(19)24/h8-10,15H,6-7H2,1-5H3/t15-,20-,21-/m0/s1
InChIKey KJTMTSFLOUDCBH-JHVJFLLYSA-N
Instrument Name Micromass 70-VSE
Ionization Type EI
Literature Reference DOI 10.1021/jm101445p
Molecular Weight 353.418 g/mol
Reported Formula C21H23NO4
SMILES C=1(C(C([C@]2([C@](C1)(C=1[C@@](CC2)(C=C(C(C1)=O)C(=O)OC)C)C)[H])(C)C)=O)C#N
SPLASH splash10-0zi3-4469000000-2008f50188383e153e83
Source of Spectrum AF-54-SM33-6
Wiley ID 1848791