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(5Z)-7R-Epoxy-10-oxo-19-norcholecalciferol

View entire compound with spectra: 2 MS (GC)

(5Z)-7R-Epoxy-10-oxo-19-norcholecalciferol
SpectraBase Compound ID 5G5sT3G9CFS
InChI InChI=1S/C26H42O3/c1-17(2)7-5-8-18(3)21-10-12-23-25(21,4)13-6-14-26(23)24(29-26)16-19-15-20(27)9-11-22(19)28/h16-18,20-21,23-24,27H,5-15H2,1-4H3/b19-16+/t18-,20+,21-,23?,24?,25-,26?/m1/s1
InChIKey RMVQENPJTLYLFP-CIHABELQSA-N
Mol Weight 402.6 g/mol
Molecular Formula C26H42O3
Exact Mass 402.313395 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID mwHyBfDhw
Name (5Z)-7R-Epoxy-10-oxo-19-norcholecalciferol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H42O3
InChI InChI=1S/C26H42O3/c1-17(2)7-5-8-18(3)21-10-12-23-25(21,4)13-6-14-26(23)24(29-26)16-19-15-20(27)9-11-22(19)28/h16-18,20-21,23-24,27H,5-15H2,1-4H3/b19-16+/t18-,20+,21-,23?,24?,25-,26?/m1/s1
InChIKey RMVQENPJTLYLFP-CIHABELQSA-N
Molecular Weight 402.619 g/mol
SMILES O[C@@]1(C\C(=C/C2C3(O2)C2[C@]([C@]([C@@](CCCC(C)C)(C)[H])([H])CC2)(C)CCC3)C(=O)CC1)[H]
SPLASH splash10-060c-9700100000-7734866e12d9c110b307
Source of Spectrum AH-125-92-13
Synonyms (5E)-7R-Epoxy-10-oxo-19-norcholecalciferol (2E,4S)-2-[(1R,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-octahydrospiro[indene-4,2'-oxirane]-3'-ylmethylidene]-4-hydroxycyclohexan-1-one
Wiley ID 1370627