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D-Homoandrostane-17a-carboxylic acid, 4,4,8-trimethyl-17-oxo-, methyl ester, (5.alpha.,17a.beta.)-
SpectraBase Compound ID ER2OsLxq8Mj
InChI InChI=1S/C25H40O3/c1-22(2)12-7-13-23(3)17(22)10-14-24(4)18-9-8-16(26)20(21(27)28-6)25(18,5)15-11-19(23)24/h17-20H,7-15H2,1-6H3
InChIKey JYXSIVMRVGGRER-UHFFFAOYSA-N
Mol Weight 388.6 g/mol
Molecular Formula C25H40O3
Exact Mass 388.297745 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 49qaS4ZXSBc
Name D-Homoandrostane-17a-carboxylic acid, 4,4,8-trimethyl-17-oxo-, methyl ester, (5.alpha.,17a.beta.)-
CAS Registry Number 131246-16-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H40O3
InChI InChI=1S/C25H40O3/c1-22(2)12-7-13-23(3)17(22)10-14-24(4)18-9-8-16(26)20(21(27)28-6)25(18,5)15-11-19(23)24/h17-20H,7-15H2,1-6H3
InChIKey JYXSIVMRVGGRER-UHFFFAOYSA-N
Molecular Weight 388.592 g/mol
SMILES C12(C(C(=O)OC)C(=O)CCC1C1(CCC3C(C1CC2)(CCCC3(C)C)C)C)C
SPLASH splash10-00xu-8946000000-af179821c269f3243326
Source of Spectrum KC-1990-2549-6
Synonyms Methyl 17-oxo-24-norscalaran-25-oate Methyl 4b,7,7,10a,12a-pentamethyl-2-oxooctadecahydro-1-chrysenecarboxylate
Wiley ID 1364123