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CHOLESTAN-3-ONE OXIME
SpectraBase Compound ID E7BeAAfk2je
InChI InChI=1S/C27H47NO/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28-29)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,22-25,29H,6-17H2,1-5H3/b28-21+/t19-,20?,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey YBGNTBYIXGTDRY-QFJOBPKOSA-N
Mol Weight 401.7 g/mol
Molecular Formula C27H47NO
Exact Mass 401.365765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GtmRXZGwGrr
Name CHOLESTAN-3-ONE OXIME
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 401.365765136 u
Formula C27H47NO
InChI InChI=1S/C27H47NO/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28-29)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,22-25,29H,6-17H2,1-5H3/b28-21+/t19-,20?,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey YBGNTBYIXGTDRY-QFJOBPKOSA-N
Molecular Weight 401.679 g/mol
Nominal Mass 401 u
Number of Peaks 299
SMILES O\N=C/1CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CCC2C1)[H])[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])C
SPLASH splash10-0f6t-9673200000-fe0f31bc75ba0ce2910e
Source File Reference LMCM-40660-965E
Source of Spectrum Prof. J. Seibl; ETH Zurich, Switzerland
Synonyms N-[(1S,2S,5E,10R,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-5-ylidene]hydroxylamine
Wiley ID 8_11347