9,10-Secoergosta-5,7,10(19),22-tetraene-3,25-diol, (3.beta.,5Z,7E,22E)-

SpectraBase Compound ID	GaT7rIk5AFB
InChI	InChI=1S/C28H44O2/c1-19-10-14-24(29)18-23(19)13-12-22-8-7-17-28(6)25(15-16-26(22)28)20(2)9-11-21(3)27(4,5)30/h9,11-13,20-21,24-26,29-30H,1,7-8,10,14-18H2,2-6H3/b11-9+,22-12+,23-13-
InChIKey	KJKIIUAXZGLUND-FHLCDDBTSA-N Google Search
Mol Weight	412.7 g/mol
Molecular Formula	C28H44O2
Exact Mass	412.334131 g/mol

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SpectraBase Spectrum ID	GHiOixdMaIk
Name	9,10-Secoergosta-5,7,10(19),22-tetraene-3,25-diol, (3.beta.,5Z,7E,22E)-
CAS Registry Number	21343-40-8
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C28H44O2
InChI	InChI=1S/C28H44O2/c1-19-10-14-24(29)18-23(19)13-12-22-8-7-17-28(6)25(15-16-26(22)28)20(2)9-11-21(3)27(4,5)30/h9,11-13,20-21,24-26,29-30H,1,7-8,10,14-18H2,2-6H3/b11-9+,22-12+,23-13-
InChIKey	KJKIIUAXZGLUND-FHLCDDBTSA-N
Molecular Weight	412.658 g/mol
SMILES	OC(C(\C=C\C(C1CCC2\C(=C\C=C\3CC(CCC3=C)O)CCCC12C)C)C)(C)C
SPLASH	splash10-07br-4932400000-4b0100f519d11dbe9677
Source of Spectrum	J-49-2151-0
Synonyms	(5E,7E,22E)-9,10-Secoergosta-5,7,10,22-tetraene-3,25-diol 25-Hydroxycalciferol 25-Hydroxyergocalciferol 25-Hydroxyvitamin D 25-Hydroxyvitamin D 2 9,10-Secoergosta-5,7,10(19),22-tetraene-3,25-diol, (3beta,5Z,7E,22E)- 9,10-Secoergosta-5,7,10(19),22-tetraene-3.beta.,25-diol 9,10-Secoergosta-5,7,10(19),22-tetraene-3beta,25-diol (3Z)-3-[(2E)-2-[1-[(E)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-1-cyclohexanol (3Z)-3-[(2E)-2-[1-[(E)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol (3Z)-3-[(2E)-2-[1-[(E)-5,6-dimethyl-6-oxidanyl-hept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol
Wiley ID	1374690