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pre-Calcitriol PTAD Adduct (Mixture of Diastereomers)

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CATAPS86307440
CAS86307-44-0
Structure
Molecular Weight591.78
Molecular FormulaC35H49N3O5
Canonical SMILESC[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2C3=C[C@H](N4N([C@@H]3CC[C@]12C)C(=O)N(C4=O)c5ccccc5)C6=C(C)[C@@H](O)C[C@H](O)C6
InChIInChI=1S/C35H49N3O5/c1-21(10-9-16-34(3,4)43)27-13-14-28-26-20-30(25-18-24(39)19-31(40)22(25)2)38-33(42)36(23-11-7-6-8-12-23)32(41)37(38)29(26)15-17-35(27,28)5/h6-8,11-12,20-21,24,27-31,39-40,43H,9-10,13-19H2,1-5H3/t21-,24-,27-,28+,29-,30+,31+,35-/m1/s1
Accurate Mass591.3672
FormatNeat
SubcategoryImpurity standards, Chiral molecules
TypeImpurity
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  • Verification code
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