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3-CHLOROCHOLESTANE
SpectraBase Compound ID CsO4aNwMQhS
InChI InChI=1S/C27H47Cl/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25H,6-17H2,1-5H3/t19-,20?,21?,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey LHVAJZMYZDQMQT-BPAAZKTESA-N
Mol Weight 407.1 g/mol
Molecular Formula C27H47Cl
Exact Mass 406.336629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bh8HnqL2B9l
Name 3-CHLOROCHOLESTANE
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 406.336629213 u
Formula C27H47Cl
InChI InChI=1S/C27H47Cl/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25H,6-17H2,1-5H3/t19-,20?,21?,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey LHVAJZMYZDQMQT-BPAAZKTESA-N
Molecular Weight 407.126 g/mol
Nominal Mass 406 u
Number of Peaks 311
SMILES C1(CC[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)Cl
SPLASH splash10-0zfr-9650100000-d9992e9b3b64df6902dd
Source File Reference LMCM-51208-963V
Synonyms 3-CHLORO-17-(1,5-DIMETHYL-HEXYL)-10,13-DIMETHYL-HEXADECAHYDRO-CYCLOPENTA[A]PHENANTHRENE (1S,2S,10R,11S,14R,15R)-5-chloro-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecane
Wiley ID 8_8045