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(5S,6S,7S,8R,13S,14S,17S)-17-tert-Butoxy-13-methyl-3-oxo-2,3,4,5,6,7,8,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-6,7-dicarbonitrile

View entire compound with spectra: 1 MS (GC)

(5S,6S,7S,8R,13S,14S,17S)-17-tert-Butoxy-13-methyl-3-oxo-2,3,4,5,6,7,8,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-6,7-dicarbonitrile
SpectraBase Compound ID 74EV479xQLw
InChI InChI=1S/C24H32N2O2/c1-23(2,3)28-21-8-7-20-22-16(9-10-24(20,21)4)15-6-5-14(27)11-17(15)18(12-25)19(22)13-26/h17-22H,5-11H2,1-4H3/t17-,18+,19-,20+,21+,22+,24+/m1/s1
InChIKey KFRUSCYBABYLDS-PGKZJNTQSA-N
Mol Weight 380.5 g/mol
Molecular Formula C24H32N2O2
Exact Mass 380.246378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BE5zypBnZfU
Name (5S,6S,7S,8R,13S,14S,17S)-17-tert-Butoxy-13-methyl-3-oxo-2,3,4,5,6,7,8,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-6,7-dicarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H32N2O2
InChI InChI=1S/C24H32N2O2/c1-23(2,3)28-21-8-7-20-22-16(9-10-24(20,21)4)15-6-5-14(27)11-17(15)18(12-25)19(22)13-26/h17-22H,5-11H2,1-4H3/t17-,18+,19-,20+,21+,22+,24+/m1/s1
InChIKey KFRUSCYBABYLDS-PGKZJNTQSA-N
Molecular Weight 380.532 g/mol
SMILES C=12[C@]([C@@]3(CC[C@@]([C@]3(CC2)C)(OC(C)(C)C)[H])[H])([C@](C#N)([C@]([C@]2(C1CCC(C2)=O)[H])(C#N)[H])[H])[H]
SPLASH splash10-0a4i-9026000000-7c6aa7501fb2b87bb116
Source of Spectrum QE-14-7247-trans-32
Synonyms 17-(t-Butoxy)-13-methyl-(tetradecahydro)-1H-cyclopenta[a]phenanthrene-6,7-dicarbonitrile
Wiley ID 1692351