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Cholest-5-en-1-one
SpectraBase Compound ID 1yFt160S2Kd
InChI InChI=1S/C27H44O/c1-18(2)8-6-9-19(3)22-14-15-23-21-13-12-20-10-7-11-25(28)27(20,5)24(21)16-17-26(22,23)4/h12,18-19,21-24H,6-11,13-17H2,1-5H3/t19-,21+,22-,23+,24+,26-,27+/m1/s1
InChIKey NVXYLAZZKNNQHW-GBISZCEDSA-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 6U9UeKXGf76
Name Cholest-5-en-1-one
CAS Registry Number 87068-12-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44O
InChI InChI=1S/C27H44O/c1-18(2)8-6-9-19(3)22-14-15-23-21-13-12-20-10-7-11-25(28)27(20,5)24(21)16-17-26(22,23)4/h12,18-19,21-24H,6-11,13-17H2,1-5H3/t19-,21+,22-,23+,24+,26-,27+/m1/s1
InChIKey NVXYLAZZKNNQHW-GBISZCEDSA-N
Molecular Weight 384.648 g/mol
SMILES [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(C(=O)CCC4)C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-00e9-0549000000-7a04058a1a7c33ac480e
Source of Spectrum J-48-3743-0
Wiley ID 1361973