(5E)-Calcipotriene

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For Research Use Only | Not For Clinical Use
CATAPS113082998
CAS113082-99-8
Structure
Synonyms(5E,7E,22E,24S)-24-cyclopropyl-9,10-secochola-5,7,10(19),22-tetraene-1α,3β,24-triol, Calcipotriol Imp. C (EP), (5E)-calcipotriol)
IUPAC Name(1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Molecular Weight412.60
Molecular FormulaC27H40O3
Canonical SMILESC[C@H](\C=C\[C@@H](O)C1CC1)[C@H]2CC[C@H]3\C(=C\C=C\4/C[C@@H](O)C[C@H](O)C4=C)\CCC[C@]23C
InChIInChI=1S/C27H40O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-26,28-30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10+/t17-,22-,23-,24+,25-,26+,27-/m1/s1
Accurate Mass412.2977
FormatNeat
Product TypeImpurity
SubcategoryImpurity standards, Chiral molecules, Vitamins and derivatives, Vitamins
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APS113082998-10MG 10MG Dry ice -20°C Freezer Inquiry
APS113082998-1MG 1MG Blue Ice -20°C Freezer Inquiry
APS113082998-5MG 5MG Dry ice -20°C Freezer Inquiry
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