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

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9,10-Secocholesta-5,7,10(19)-triene-3,25-diol, (3.beta.,5Z,7E)-
SpectraBase Compound ID K1o8FARw5Fl
InChI InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-
InChIKey JWUBBDSIWDLEOM-DWKIUPLPSA-N
Mol Weight 400.6 g/mol
Molecular Formula C27H44O2
Exact Mass 400.334131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FNizh18O2Z2
Name 9,10-Secocholesta-5,7,10(19)-triene-3,25-diol, (3.beta.,5Z,7E)-
CAS Registry Number 19356-17-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44O2
InChI InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-
InChIKey JWUBBDSIWDLEOM-DWKIUPLPSA-N
Molecular Weight 400.647 g/mol
SMILES OC(CCCC(C1CCC2\C(=C\C=C\3CC(CCC3=C)O)CCCC12C)C)(C)C
SPLASH splash10-0673-9700000000-312d08978b40012c2c96
Source of Spectrum JZ-1992-2852-0
Synonyms (3Z)-3-[(2E)-2-[1-(5-hydroxy-1,5-dimethyl-hexyl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexanol (3Z)-3-[(2E)-2-[1-(6-hydroxy-6-methylheptan-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-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol (3Z)-3-[(2E)-2-[7a-methyl-1-(6-methyl-6-oxidanyl-heptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol 25-(OH)Vitamin D3 25-HCC 25-Hydroxy D3 25-Hydroxy vitamin D 25-Hydroxy vitamin D3 25-Hydroxy-5,6-trans-cholecalciferol 25-Hydroxycholecalciferol 25-Hydroxycholescalciferol 5,6-cis-25-Hydroxy Vitamin D3 5,6-trans-25-hydroxycholescalciferol 5,6-trans-9,10-seco-5,7,10(19)-cholestatrien-3beta,25-diol 9,10-Secocholesta-5,7,10(19)-triene-1,25-diol, (3.beta,.5z,7E)- 9,10-Secocholesta-5,7,10(19)-triene-3,25-diol, (3beta,5Z,7E)- 9,10-Secocholesta-5,7,10(19)-triene-3.beta.,25-diol 9,10-Secocholesta-5,7,10(19)-triene-3beta,25-diol Calcidiol Calcifediol Calcifediol anhydrous Calcifediolum Calcifidiol Calderol Cholecalciferol, 25-hydroxy- Dedrogyl Delakmin Didrogyl Hidroferol EINECS 242-990-9 RO 8-8892
Wiley ID 1369689