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4-D-homoandrosten-3,17-dione-17-O-isopentyloxime
SpectraBase Compound ID 2CaLkURMyUk
InChI InChI=1S/C25H39NO2/c1-17(2)11-14-28-26-19-6-8-22-21-7-5-18-15-20(27)9-13-25(18,4)23(21)10-12-24(22,3)16-19/h15,17,21-23H,5-14,16H2,1-4H3/b26-19+/t21?,22?,23?,24-,25+/m1/s1
InChIKey VSEOUWRMTNVNCO-FBQSUWGFSA-N
Mol Weight 385.6 g/mol
Molecular Formula C25H39NO2
Exact Mass 385.298079 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3kyujbgf0sc
Name 4-D-homoandrosten-3,17-dione-17-O-isopentyloxime
Alternate Name(s) (2E,10aR,12aR)-10a,12a-dimethyl-1,3,4,4a,4b,5,6,9,10,10a,10b,11,12,12a-tetradecahydro-2,8-chrysenedione 2-(O-isopentyloxime)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H39NO2
InChI InChI=1S/C25H39NO2/c1-17(2)11-14-28-26-19-6-8-22-21-7-5-18-15-20(27)9-13-25(18,4)23(21)10-12-24(22,3)16-19/h15,17,21-23H,5-14,16H2,1-4H3/b26-19+/t21?,22?,23?,24-,25+/m1/s1
InChIKey VSEOUWRMTNVNCO-FBQSUWGFSA-N
Molecular Weight 385.592 g/mol
SMILES [C@@]12(C(=CC(CC2)=O)CCC2C1CC[C@@]1(C\C(=N\OCCC(C)C)CCC21)C)C
SPLASH splash10-0ac0-0967000000-1a18f99017af09bb9ab0
Source of Spectrum KO-3-85-3
Wiley ID 1362328