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N-CHOLESTAN-3-YLIDENEACETAMIDE
SpectraBase Compound ID J64ouWsID9b
InChI InChI=1S/C29H49NO/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(30-21(4)31)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-20,22,24-27H,7-18H2,1-6H3/b30-23+/t20-,22?,24?,25-,26?,27?,28+,29-/m1/s1
InChIKey NAVDGUQZFLZLSD-MOPNWYSASA-N
Mol Weight 427.7 g/mol
Molecular Formula C29H49NO
Exact Mass 427.381415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C7SZY4t2r6p
Name N-CHOLESTAN-3-YLIDENEACETAMIDE
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 427.381415201 u
Formula C29H49NO
InChI InChI=1S/C29H49NO/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(30-21(4)31)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-20,22,24-27H,7-18H2,1-6H3/b30-23+/t20-,22?,24?,25-,26?,27?,28+,29-/m1/s1
InChIKey NAVDGUQZFLZLSD-MOPNWYSASA-N
Molecular Weight 427.717 g/mol
Nominal Mass 427 u
Number of Peaks 282
SMILES C(C)(=O)\N=C/1CC[C@@]2(C3CC[C@@]4([C@](CCC4C3CCC2C1)([C@@](CCCC(C)C)(C)[H])[H])C)C
SPLASH splash10-004i-9812300000-f9ef2978620a053eaebc
Source File Reference LMCM-34858-919N
Synonyms (E)-N-((10S,13R,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)hexahydro-1H-cyclopenta[a]phenanthren-3(2H,4H,10H,12H,13H,14H,15H,16H,17H)-ylidene)acetamide N-[(2S,5E,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-5-ylidene]acetamide
Wiley ID 8_8232