24,25-Dihydroxyvitamine D3

SpectraBase Compound ID	14H0NNErZRx
InChI	InChI=1S/C27H44O3/c1-18-8-12-22(28)17-21(18)11-10-20-7-6-16-27(5)23(13-14-24(20)27)19(2)9-15-25(29)26(3,4)30/h10-11,19,22-25,28-30H,1,6-9,12-17H2,2-5H3/b20-10-,21-11+
InChIKey	FCKJYANJHNLEEP-NGHQTVFFSA-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	49ei4CoFKC9
Name	24,25-Dihydroxyvitamine D3
Alternate Name(s)	(5Z,7E)-9,10-Secocholesta-5,7,10-triene-3,24,25-triol (3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-3,24,25-triol 24,25-Dihydroxycholecalciferol 24,25-Dihydroxyvitamin D 24,25-Dihydroxyvitamin D 3 9,10-Secocholesta-5,7,10(19)-triene-3,24,25-triol, (3.beta.,5Z,7E)- 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-2,3-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-2,3-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-2,3-diol EINECS 254-749-5
CAS Registry Number	40013-87-4
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H44O3
InChI	InChI=1S/C27H44O3/c1-18-8-12-22(28)17-21(18)11-10-20-7-6-16-27(5)23(13-14-24(20)27)19(2)9-15-25(29)26(3,4)30/h10-11,19,22-25,28-30H,1,6-9,12-17H2,2-5H3/b20-10-,21-11+
InChIKey	FCKJYANJHNLEEP-NGHQTVFFSA-N
Molecular Weight	416.646 g/mol
SMILES	OC(C(C)(C)O)CCC(C)C1CCC2\C(CCCC12C)=C/C=C\1CC(O)CCC1=C
SPLASH	splash10-0aou-9710000000-5fa05ae46251c1f6a852
Source of Spectrum	D-11-4253-1
Wiley ID	1376599