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19-NOR-5-ALPHA-CHOLEST-1(10)-EN-4-BETA-YL-FORMATE
SpectraBase Compound ID 4LcSspdCoTk
InChI InChI=1S/C27H44O2/c1-18(2)7-5-8-19(3)24-13-14-25-22-11-12-23-20(9-6-10-26(23)29-17-28)21(22)15-16-27(24,25)4/h9,17-19,21-26H,5-8,10-16H2,1-4H3/t19-,21-,22-,23-,24-,25+,26+,27-/m1/s1
InChIKey YVWGDIAVHZEAMM-BPJLBALZSA-N
Mol Weight 400.6 g/mol
Molecular Formula C27H44O2
Exact Mass 400.334131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GOziGUOSIsZ
Name 19-Norcholest-1(10)-en-4-ol, formate, (4.beta.,5.alpha.)-
CAS Registry Number 121691-71-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44O2
InChI InChI=1S/C27H44O2/c1-18(2)7-5-8-19(3)24-13-14-25-22-11-12-23-20(9-6-10-26(23)29-17-28)21(22)15-16-27(24,25)4/h9,17-19,21-26H,5-8,10-16H2,1-4H3/t19-,21-,22-,23-,24-,25+,26+,27-/m1/s1
InChIKey YVWGDIAVHZEAMM-BPJLBALZSA-N
Molecular Weight 400.647 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@@]4(C([C@]3(CC2)[H])=CCC[C@@]4(OC=O)[H])[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-0udi-0219000000-da2d07576d5e6dc282ee
Source of Spectrum KC-1989-409-17
Synonyms (4beta,5alpha,17beta)-17-[(1R)-1,5-dimethylhexyl]estr-1(10)-en-4-yl formate 5.alpha.-cholest-19-en-4-formate
Wiley ID 1369734