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δ4-cholesten-3-one
SpectraBase Compound ID Auf2QPXCPGR
InChI InChI=1S/C27H44O/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/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey NYOXRYYXRWJDKP-GYKMGIIDSA-N
Mol Weight 384.6 g/mol
Molecular Formula C27H44O
Exact Mass 384.339216 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ZeoX6dqyqb
Name CHOLEST-4-EN-3-ONE
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 384.339216036 u
Formula C27H44O
InChI InChI=1S/C27H44O/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/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey NYOXRYYXRWJDKP-GYKMGIIDSA-N
Molecular Weight 384.648 g/mol
Nominal Mass 384 u
Number of Peaks 174
SMILES C1(CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CCC2=C1)[H])[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])C)=O
SPLASH splash10-052f-9510000000-bdfa6c9327193cd716a3
Source File Reference LMCM-67070-720W
Source of Spectrum Univ Bielefeld
Synonyms (1S,2R,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-6-en-5-one 17-(1,5-DIMETHYL-HEXYL)-10,13-DIMETHYL-1,2,6,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE
Wiley ID 8_10280