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CHOLEST-1-EN-3-ONE
SpectraBase Compound ID JuRmHm09yUa
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/h13,15,18-20,22-25H,6-12,14,16-17H2,1-5H3/t19-,20?,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey IIPHPVVRBVBREZ-ZTPZMMAUSA-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 1oGdd7ga59j
Name CHOLEST-1-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/h13,15,18-20,22-25H,6-12,14,16-17H2,1-5H3/t19-,20?,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey IIPHPVVRBVBREZ-ZTPZMMAUSA-N
Molecular Weight 384.648 g/mol
Nominal Mass 384 u
Number of Peaks 252
SMILES C1(C=C[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)=O
SPLASH splash10-05fr-5921000000-fabaea778bd5c3af3daa
Source File Reference LMCM-52106-623U
Synonyms 17-(1,5-DIMETHYL-HEXYL)-10,13-DIMETHYL-4,5,6,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE (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-3-en-5-one
Wiley ID 8_8554