9,10-Secocholesta-5,7,10(19)-triene-3,25,26-triol, (3.beta.,5Z,7E)-

SpectraBase Compound ID	JKDnrjJ3zkz
InChI	InChI=1S/C27H44O3/c1-19-9-12-23(29)17-22(19)11-10-21-8-6-16-27(4)24(13-14-25(21)27)20(2)7-5-15-26(3,30)18-28/h10-11,20,23-25,28-30H,1,5-9,12-18H2,2-4H3/b21-10-,22-11+
InChIKey	QOWCBCXATJITSI-PANSPLHPSA-N Google Search
Mol Weight	416.6 g/mol
Molecular Formula	C27H44O3
Exact Mass	416.329045 g/mol

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SpectraBase Spectrum ID	EiUXCZgDgX1
Name	9,10-Secocholesta-5,7,10(19)-triene-3,25,26-triol, (3.beta.,5Z,7E)-
Alternate Name(s)	(5E,7E)-9,10-Secocholesta-5,7,10-triene-3,25,26-triol 25(RS),26-Dihydroxycholecalciferol 25,26-Dihydroxy-vitamin D3 25,26-Dihydroxycholecalciferol 25.Xi.,26-Dihydroxycholecalciferol 6-[(4Z)-4-[(2E)-2-(5-hydroxy-2-methylene-cyclohexylidene)ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methyl-heptane-1,2-diol 6-[(4Z)-4-[(2E)-2-(5-hydroxy-2-methylidenecyclohexylidene)ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-1,2-diol 6-[(4Z)-7a-methyl-4-[(2E)-2-(2-methylidene-5-oxidanyl-cyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methyl-heptane-1,2-diol 9,10-Secocholesta-5,7,10(19)-triene-3,25,26-triol, (3beta,5Z,7E)- 9,10-Secocholesta-5,7,10(19)-triene-3.beta.,25,26-triol
CAS Registry Number	29261-12-9
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H44O3
InChI	InChI=1S/C27H44O3/c1-19-9-12-23(29)17-22(19)11-10-21-8-6-16-27(4)24(13-14-25(21)27)20(2)7-5-15-26(3,30)18-28/h10-11,20,23-25,28-30H,1,5-9,12-18H2,2-4H3/b21-10-,22-11+
InChIKey	QOWCBCXATJITSI-PANSPLHPSA-N
Molecular Weight	416.646 g/mol
SMILES	OC(CO)(CCCC(C)C1CCC2\C(CCCC12C)=C/C=C\1CC(O)CCC1=C)C
SPLASH	splash10-066u-7900000000-89f5f77853623d583f91
Source of Spectrum	D-9-4779-1
Wiley ID	1376605