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4.beta.-hydroxyimino-5.beta.-chlolestan-3-one
SpectraBase Compound ID IssRAKkNG2y
InChI InChI=1S/C27H45NO2/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(28-30)24(29)14-16-27(23,5)22(19)13-15-26(20,21)4/h17-23,30H,6-16H2,1-5H3/b28-25-/t18?,19?,20?,21?,22?,23-,26?,27?/m1/s1
InChIKey BBZRGIJMJMPYSV-QRWBAXKGSA-N
Mol Weight 415.7 g/mol
Molecular Formula C27H45NO2
Exact Mass 415.34503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FKZe3iYXVTM
Name 4.beta.-hydroxyimino-5.beta.-chlolestan-3-one
Alternate Name(s) (5beta)-cholestane-3,4-dione 4-oxime
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H45NO2
InChI InChI=1S/C27H45NO2/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(28-30)24(29)14-16-27(23,5)22(19)13-15-26(20,21)4/h17-23,30H,6-16H2,1-5H3/b28-25-/t18?,19?,20?,21?,22?,23-,26?,27?/m1/s1
InChIKey BBZRGIJMJMPYSV-QRWBAXKGSA-N
Molecular Weight 415.662 g/mol
SMILES O\N=C\1[C@@]2(C(C3C(C4CCC(C4(CC3)C)C(CCCC(C)C)C)CC2)(CCC1=O)C)[H]
SPLASH splash10-08mj-9642000000-768a3a3026928c2bd49d
Source of Spectrum AJ-61-4013-14
Wiley ID 1376100