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Ethyl 3-(methoxyimino)-5.beta.-cholanoate
SpectraBase Compound ID CvT5zoHPErX
InChI InChI=1S/C27H45NO3/c1-6-31-25(29)12-7-18(2)22-10-11-23-21-9-8-19-17-20(28-30-5)13-15-26(19,3)24(21)14-16-27(22,23)4/h18-19,21-24H,6-17H2,1-5H3/b28-20+/t18-,19-,21+,22-,23+,24+,26+,27-/m1/s1
InChIKey RCXQZVVCJVDBEE-KZZBECJQSA-N
Mol Weight 431.7 g/mol
Molecular Formula C27H45NO3
Exact Mass 431.339944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DaUTsIP1NaE
Name Ethyl 3-(methoxyimino)-5.beta.-cholanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H45NO3
InChI InChI=1S/C27H45NO3/c1-6-31-25(29)12-7-18(2)22-10-11-23-21-9-8-19-17-20(28-30-5)13-15-26(19,3)24(21)14-16-27(22,23)4/h18-19,21-24H,6-17H2,1-5H3/b28-20+/t18-,19-,21+,22-,23+,24+,26+,27-/m1/s1
InChIKey RCXQZVVCJVDBEE-KZZBECJQSA-N
Molecular Weight 431.661 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@]4([C@@]([C@]3(CC2)[H])(CC\C(=N/OC)C4)C)[H])[H])(CC[C@@]1([C@@](CCC(=O)OCC)(C)[H])[H])[H])C
SPLASH splash10-0f89-0008900000-a731691fe1242eb8a8c0
Source of Spectrum JC-525-31-0
Synonyms Ethyl (5beta)-3-(methoxyimino)cholan-24-oate
Wiley ID 1382023