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A-Norcholestane-3-carboxylic acid, 2-oxo-, methyl ester, (3.alpha.)-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

A-Norcholestane-3-carboxylic acid, 2-oxo-, methyl ester, (3.alpha.)-
SpectraBase Compound ID 6Ir8j7N6d8I
InChI InChI=1S/C28H46O3/c1-17(2)8-7-9-18(3)20-12-13-21-19-10-11-23-25(26(30)31-6)24(29)16-28(23,5)22(19)14-15-27(20,21)4/h17-23,25H,7-16H2,1-6H3
InChIKey OOSCKAGXCOGOIE-UHFFFAOYSA-N
Mol Weight 430.7 g/mol
Molecular Formula C28H46O3
Exact Mass 430.344695 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AWpevUIkbvc
Name A-Norcholestane-3-carboxylic acid, 2-oxo-, methyl ester, (3.alpha.)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 430.344695338 u
Formula C28H46O3
InChI InChI=1S/C28H46O3/c1-17(2)8-7-9-18(3)20-12-13-21-19-10-11-23-25(26(30)31-6)24(29)16-28(23,5)22(19)14-15-27(20,21)4/h17-23,25H,7-16H2,1-6H3
InChIKey OOSCKAGXCOGOIE-UHFFFAOYSA-N
Molecular Weight 430.673 g/mol
SMILES CC12C3C(C4C(CC3)(C)C(C(CCCC(C)C)C)CC4)CCC2C(C(OC)=O)C(C1)=O