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Methyl B-Homo-5-oxo-5,6-oxy-3,4-dinor-2,3-secocholestan-2-oate
SpectraBase Compound ID INc6m0XlIXc
InChI InChI=1S/C26H44O4/c1-17(2)8-7-9-18(3)20-11-12-21-19-10-13-23(27)30-26(5,16-24(28)29-6)22(19)14-15-25(20,21)4/h17-22H,7-16H2,1-6H3/t18-,19+,20-,21+,22+,25-,26?/m1/s1
InChIKey HDTCZKGYZDHSBE-WAYAWOCNSA-N
Mol Weight 420.6 g/mol
Molecular Formula C26H44O4
Exact Mass 420.32396 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A5zxZ1zOqIN
Name Methyl B-Homo-5-oxo-5,6-oxy-3,4-dinor-2,3-secocholestan-2-oate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H44O4
InChI InChI=1S/C26H44O4/c1-17(2)8-7-9-18(3)20-11-12-21-19-10-13-23(27)30-26(5,16-24(28)29-6)22(19)14-15-25(20,21)4/h17-22H,7-16H2,1-6H3/t18-,19+,20-,21+,22+,25-,26?/m1/s1
InChIKey HDTCZKGYZDHSBE-WAYAWOCNSA-N
Molecular Weight 420.634 g/mol
SMILES [C@@]12([C@]([C@@]3(CCC(=O)OC([C@]3(CC2)[H])(CC(=O)OC)C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-0udi-0009000000-466470c72ca7376c4cb7
Source of Spectrum J-60-8217-21
Wiley ID 1378111