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(E)-N-((8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-((R)-6-methylheptan-2-yl)-7,8,9,11,12,13,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3(2H,6H,10H)-ylidene)methanamine Oxide

View entire compound with spectra: 1 MS (GC)

(E)-N-((8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-((R)-6-methylheptan-2-yl)-7,8,9,11,12,13,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3(2H,6H,10H)-ylidene)methanamine Oxide
SpectraBase Compound ID HfXYYwTQmI
InChI InChI=1S/C28H47NO/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(29(6)30)14-16-27(21,4)26(23)15-17-28(24,25)5/h18-20,23-26H,7-17H2,1-6H3/b29-22+/t20-,23+,24-,25+,26+,27+,28-/m1/s1
InChIKey HGVZAIPGWNYAPW-BARRXVKMSA-N
Mol Weight 413.7 g/mol
Molecular Formula C28H47NO
Exact Mass 413.365765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID aziy8BA0Yc
Name (E)-N-((8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-((R)-6-methylheptan-2-yl)-7,8,9,11,12,13,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3(2H,6H,10H)-ylidene)methanamine Oxide
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H47NO
InChI InChI=1S/C28H47NO/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(29(6)30)14-16-27(21,4)26(23)15-17-28(24,25)5/h18-20,23-26H,7-17H2,1-6H3/b29-22+/t20-,23+,24-,25+,26+,27+,28-/m1/s1
InChIKey HGVZAIPGWNYAPW-BARRXVKMSA-N
Ionization Type EI
Literature Reference DOI 10.1021/acs.jmedchem.5b00755
Molecular Weight 413.690 g/mol
SMILES C1C[C@]2(C(=C\C1=[N+]\([O-])C)CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2([C@](C)(CCCC(C)C)[H])[H])[H])C)[H])[H])C
SPLASH splash10-000j-0908300000-dfe2f9428f80f1d4f354
Source of Spectrum AF-58-6708-2
Thin-Layer Chromatography Rf = 0.21 (CH2Cl2/MeOH, 5%)
Wiley ID 1865506