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(24S)-Secalciferol

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For Research Use Only | Not For Clinical Use
CATAPS55700588
CAS55700-58-8
Structure
Synonyms(24S)-24,25-Dihydroxyvitamin D3, (24S)-24,25-Dihydroxycholecalciferol, (3S,6R)-2-Methyl-6-[(1R,3aS,4E,7aR)-octahydro-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-1H-inden-1-yl]-2,3-heptanediol, 24S,25-Dihydroxyvitamin D3,2,3-Heptanediol, 2-methyl-6-[(1R,3aS,4E,7aR)-octahydro-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-1H-inden-1-yl]-, (3S,6R)-, 9,10-Secocholesta-5,7,10(19)-triene-3,24,25-triol, (3β,5Z,7E,24S)- (9CI), 24S,25-Dihydroxycholecalciferol, PRI 1202
IUPAC Name(3S,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-2,3-diol
Molecular Weight416.64
Molecular FormulaC27H44O3
Canonical SMILESC[C@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@H]2\C(=C\C=C/3\C[C@@H](O)CCC3=C)\CCC[C@]12C
InChIInChI=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-/t19-,22+,23-,24+,25+,27-/m1/s1
Accurate Mass416.329
FormatNeat
Product TypeImpurity
SubcategoryVitamins, Chiral molecules, Vitamins and derivatives
  • Verification code
CATSizeShippingStorage Conditions
APS55700588-1MG 1MG Dry ice -86°C Inquiry
APS55700588-5MG 5MG Dry ice -86°C Inquiry
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