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20-Carbonitrilepregn-5-en-3-one ethylene ketal
SpectraBase Compound ID G1cja6wcOdZ
InChI InChI=1S/C24H35NO2/c1-16(15-25)19-6-7-20-18-5-4-17-14-24(26-12-13-27-24)11-10-22(17,2)21(18)8-9-23(19,20)3/h4,16,18-21H,5-14H2,1-3H3/t16?,18?,19?,20?,21?,22-,23+/m0/s1
InChIKey ZSZAKQSFWVXQSK-QNBIUIIPSA-N
Mol Weight 369.5 g/mol
Molecular Formula C24H35NO2
Exact Mass 369.266779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EZmeDlzzLvM
Name 20-Carbonitrilepregn-5-en-3-one ethylene ketal
Alternate Name(s) 2-[(2'R,15'S)-2',15'-dimethylspiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan]-7'-en-14'-yl]propanenitrile
CAS Registry Number 58462-92-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H35NO2
InChI InChI=1S/C24H35NO2/c1-16(15-25)19-6-7-20-18-5-4-17-14-24(26-12-13-27-24)11-10-22(17,2)21(18)8-9-23(19,20)3/h4,16,18-21H,5-14H2,1-3H3/t16?,18?,19?,20?,21?,22-,23+/m0/s1
InChIKey ZSZAKQSFWVXQSK-QNBIUIIPSA-N
Molecular Weight 369.549 g/mol
SMILES [C@@]12(C(C3CC=C4[C@@](C3CC2)(CCC2(OCCO2)C4)C)CCC1C(C#N)C)C
SPLASH splash10-0002-9000000000-9b99463d9346ac70b37a
Source of Spectrum J-41-1874-0
Wiley ID 1353831